Adamantane

Adamantane

SCHEMBL7154373

C.C.C1C2CC3CC1CC(C2)C3.Cl.N

nearest known ligand 0.38

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 Adamantane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Adamantane SCHEMBL28003802 1.00 CYP2C9 (0.38) CYP2C9LMNAPOLBTHRBBLM
Adamantane SCHEMBL317246 0.94 CYP2C9 (0.40) CYP2C9LMNA
Adamantane SCHEMBL18065809 0.94 CYP2C9 (0.40) CYP2C9LMNAPOLBTHRBBLM
Adamantane SCHEMBL28551331 0.94 CYP2C9 (0.40) CYP2C9LMNAPOLBTHRBBLM
Adamantane SCHEMBL8848421 0.88 CYP2C9 (0.43) CYP2C9LMNAPOLBTHRBBLM
Adamantane SCHEMBL192523 0.88 CYP2C9 (0.43) CYP2C9LMNAPOLBTHRBBLM
Adamantane SCHEMBL870112 0.88 CYP2C9 (0.43) CYP2C9LMNAPOLBTHRBBLM
Adamantane SCHEMBL913610 0.88 CYP2C9 (0.43) CYP2C9LMNAPOLBTHRBBLM
Adamantane SCHEMBL30536640 0.88 CYP2C9 (0.43) CYP2C9LMNAPOLBTHRBBLM
Adamantane SCHEMBL28257325 0.88 CYP2C9 (0.43) CYP2C9LMNAPOLBTHRBBLM

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117224491-A Rimantadine hydrochloride anhydrous swallow granule and preparation method thereof 北京诺康达医药科技股份有限公司 2023-12-15 CN disclosed
CN-112076174-B Rimantadine hydrochloride tablet and preparation method thereof 四川省百草生物药业有限公司 2023-07-04 CN disclosed
US-8476037-B2 Method for screening of antiviral agents UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-07-02 US disclosed
US-20030176494-A1 Novel coumarin and chromene compounds and methods of preparation and use thereof for treating or preventing viral infections ADVANCED LIFE SCIENCES, INC. 2003-09-18 US disclosed
WO-2003070159-A2 NOVEL COUMARIN AND CHROMENE COMPOUNDS AND METHODS OF TREATING OR PREVENTING VIRAL INFECTIONS SARAWAK MEDICHEM PHARMACEUTICALS (US) 2003-08-28 WO disclosed
EP-0833631-B1 ROBUSTAFLAVONE AND DERIVATIVES THEREOF AS ANTIVIRAL AGENTS ADVANCED LIFE SCIENCES INC (US) 2002-11-13 EP disclosed
EP-1245230-A2 Amentoflavone as an antiviral agent Advanced Life Sciences Inc. (US) 2002-10-02 EP disclosed
US-6420571-B2 Methods for preparing antiviral calanolide compounds SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-20020068757-A1 Biflavanoids and derivatives thereof as antiviral agents ADVANCED LIFE SCIENCES, INC. 2002-06-06 US disclosed
US-6399654-B1 ADMINISTERING MIXTURE OF VIRICIDE AND BIOFLAVANOID ADVANCED LIFE SCIENCES, INC. 2002-06-04 US disclosed
US-6369241-B1 MULTISTAGE REACTION OF KETOESTER WITH 1,3,5-TRIHYDROXYBENZENE TO PRODUCE DIHYDROXYOXOCOUMARONE, COUPLING AND CYCLIZATION SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2002-04-09 US disclosed
US-20020013478-A1 Calanolide analogues and methods of their use SARAWAK MEDICHEM PHARMACEUTICALS,INC. 2002-01-31 US disclosed
US-20020013480-A1 Methods for preparing antiviral calanolide compounds SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2002-01-31 US disclosed
US-6277879-B1 VIRICIDES SARAWAK MEDICHEM PHARMACEUTICALS, INC. 2001-08-21 US disclosed
US-5948918-A PLANT EXTRACTS MEDICHEM RESEARCH, INC. (US) 1999-09-07 US disclosed
WO-1998046238-A1 BIFLAVINOIDS AND DERIVATIVES THEREOF AS ANTIVIRAL AGENTS, ALONE OR IN COMBINATION WITH AT LEAST ONE KNOWN ANTIVIRAL AGENT MEDICHEM RESEARCH, INC. (US) 1998-10-22 WO disclosed
US-5773462-A INFLUENZA THERAPY MEDICHEM RESEARCH, INC. (US) 1998-06-30 US disclosed
EP-0833631-A1 BIFLAVANOIDS AND DERIVATIVES THEREOF AS ANTIVIRAL AGENTS MEDICHEM RESEARCH, INC. (US) 1998-04-08 EP disclosed
WO-1997000679-A1 BIFLAVANOIDS AND DERIVATIVES THEREOF AS ANTIVIRAL AGENTS MEDICHEM RESEARCH, INC. (US) 1997-01-09 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 (4 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-20020068757-A1 Biflavanoids and derivatives thereof as antiviral agents HK2, GYS2, HK1 CYP2C9 2749/4885LMNA 4071/4885POLB 3037/4885
US-20020013480-A1 Methods for preparing antiviral calanolide compounds ZC3HAV1, ZC3HAV1L, CYP8B1 CYP2C9 393/4885LMNA 3131/4885POLB 35/4885
US-20030176494-A1 Novel coumarin and chromene compounds and methods of preparation and use thereof for treating or preventing viral infections HAVCR2, PROC, CTRC CYP2C9 68/4885LMNA 159/4885POLB 3373/4885
US-20020013478-A1 Calanolide analogues and methods of their use HAVCR2, ZC3HAV1, CYP51A1 CYP2C9 1489/4885LMNA 2496/4885POLB 1883/4885

“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.