Galdansetron

Galdansetron

SCHEMBL636713

Cc1[nH]cnc1C[C@H]1CCc2c(c3ccccc3n2C)C1=O.Cl

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Galdansetron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 4/20 0.60
HTR3A known ✓ P46098 3/20 0.60
HTR2B known ✓ P41595 2/20 0.60
ADRA2C known ✓ P18825 1/20 0.60
HTR2A known ✓ P28223 1/20 0.60
HTR2C known ✓ P28335 1/20 0.60
ADRA1A known ✓ P35348 1/20 0.60
HTR3E known ✓ A5X5Y0 2/20 0.57
HTR3B known ✓ O95264 2/20 0.57
HTR3D known ✓ Q70Z44 2/20 0.57
HTR3C known ✓ Q8WXA8 2/20 0.57
CHRNB4 known ✓ P30926 1/20 0.57
CHRNA3 known ✓ P32297 1/20 0.57
CASP6 P55212 1/20 0.62
CYP3A4 P08684 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 1/20 0.57
SLC22A2 O15244 1/20 0.57
SLC22A1 O15245 1/20 0.57
SLC22A3 O75751 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Galdansetron SCHEMBL9597123 0.99 CASP6 (0.61) CASP6KCNH2CYP3A4HTR3ACYP1A2
Galdansetron SCHEMBL4564582 0.99 KCNH2 (0.61) CASP6KCNH2CYP3A4HTR3ACYP1A2
Galdansetron SCHEMBL635736 0.99 KCNH2 (0.61) CASP6KCNH2CYP3A4HTR3ACYP1A2
SCHEMBL9598110 0.93 CYP3A4 (0.59) CASP6KCNH2CYP3A4HTR3ACYP1A2
Galdansetron SCHEMBL10522146 0.93 CYP3A4 (0.55) CASP6KCNH2CYP3A4HTR3ACYP1A2
Galdansetron SCHEMBL10522157 0.93 CYP3A4 (0.55) CASP6KCNH2CYP3A4HTR3ACYP1A2
Fumaric Acid SCHEMBL9597755 0.87 CYP3A4 (0.53) CASP6KCNH2CYP3A4HTR3ACYP1A2
Maleic Acid SCHEMBL9597749 0.87 CYP3A4 (0.53) CASP6KCNH2CYP3A4HTR3ACYP1A2
SCHEMBL13898240 0.87 CYP3A4 (0.47) CASP6KCNH2CYP3A4HTR3ACYP1A2
SCHEMBL9596465 0.86 CYP3A4 (0.46) CASP6KCNH2CYP3A4HTR3ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 185 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-8263125-B2 Dosage form for high dose-high solubility active ingredients that provides for immediate release and modified release of the active ingredients TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-11 US claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
EP-4706683-A2 CHEWABLE FORMULATIONS Elanco Tiergesundheit AG (CH) 2026-03-11 EP disclosed
US-20260034059-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES AQUESTIVE THERAPEUTICS, INC. (US) 2026-02-05 US disclosed
US-12465564-B2 Oral and nasal compositions and methods of treatment AQUESTIVE THERAPEUTICS, INC. (US) 2025-11-11 US disclosed
US-20250339367-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES AQUESTIVE THERAPEUTICS, INC. (US) 2025-11-06 US disclosed
US-12403090-B2 Oral film compositions and dosage forms having precise active dissolution profiles AQUESTIVE THERAPEUTICS, INC. (US) 2025-09-02 US disclosed
US-20250255780-A1 SYSTEM AND METHOD FOR MAKING PERSONALIZED INDIVIDUAL UNIT DOSES CONTAINING PHARMACEUTICAL ACTIVES AQUESTIVE THERAPEUTICS, INC. (US) 2025-08-14 US disclosed
US-12310922-B2 System and method for making personalized individual unit doses containing pharmaceutical actives AQUESTIVE THERAPEUTICS, INC. (US) 2025-05-27 US disclosed
US-6576636-B2 Treating a noncentral nervous system by administering a covalent conjugate of a C8-26, unbranched, naturally occurring fatty acid and a drug, provided the drug is not an adenosine receptor agonist/antagonist; anticarcinogenics PROTARGA, INC. 2003-06-10 US disclosed
US-20030059471-A1 Oral delivery formulation COMPTON BRUCE JON (US) 2003-03-27 US disclosed
US-20020010208-A1 Targeting a pharmaceutical agent to a noncentral nervous system tissue by administering a covalent conjugate of the drug and cis-docosahexanoic acid LUITPOLD PHARMACEUTICALS, INC. 2002-01-24 US disclosed
US-20010002404-A1 Fatty acid-pharmaceutical agent conjugates LUITPOLD PHARMACEUTICALS, INC. 2001-05-31 US disclosed
WO-1999030690-A1 ORAL DELIVERY FORMULATION AXIA THERAPEUTICS, INC. (US) 1999-06-24 WO disclosed
EP-0909183-A2 DHA-PHARMACEUTICAL AGENT CONJUGATES Neuromedica, Inc. (US) 1999-04-21 EP disclosed
US-5795909-A ANTICARCINOGENIC AND ANTITUMOR AGENTS; BREAST, COLON, OVARIANCANCERS NEUROMEDICA, INC. (US) 1998-08-18 US disclosed
WO-1997044063-A2 DHA-PHARMACEUTICAL AGENT CONJUGATES NEUROMEDICA, INC. (US) 1997-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020010208-A1 Targeting a pharmaceutical agent to a noncentral nervous system tissue by administering a covalent conjugate of the drug and cis-docosahexanoic acid FABP7, FADS2, ALOX5 KCNH2 4553/4885HTR3A 953/4885HTR2B 2207/4885
US-20010002404-A1 Fatty acid-pharmaceutical agent conjugates FABP7, FFAR2, FFAR4 KCNH2 4304/4885HTR3A 1147/4885HTR2B 1313/4885
US-20260034059-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES SORD, SLC6A13, CACNA1A KCNH2 511/4885HTR3A 1167/4885HTR2B 402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.