Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20339255

Cc1ccc(N2CCNCC2)nc1.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 Hydrochloric Acid. 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
▸ ADRB1 known ✓ P08588 2/20 0.52
▸ GRIN2D known ✓ O15399 1/20 0.50
▸ GRIN3B known ✓ O60391 1/20 0.50
▸ GRIN1 known ✓ Q05586 1/20 0.50
▸ GRIN2A known ✓ Q12879 1/20 0.50
▸ GRIN2B known ✓ Q13224 1/20 0.50
▸ GRIN2C known ✓ Q14957 1/20 0.50
▸ GRIN3A known ✓ Q8TCU5 1/20 0.50
▸ KCNH2 known ✓ Q12809 1/20 0.47
▸ CACNA1C known ✓ Q13936 1/20 0.47
▸ HTR1A known ✓ P08908 3/20 0.45
▸ HTR7 known ✓ P34969 3/20 0.45
▸ HTR6 known ✓ P50406 2/20 0.45
▸ HTR1D known ✓ P28221 1/20 0.45
▸ HTR1B known ✓ P28222 1/20 0.45
▸ HTR2B known ✓ P41595 1/20 0.45
▸ HTR5A known ✓ P47898 1/20 0.45
▸ DRD2 known ✓ P14416 2/20 0.44
▸ DRD1 known ✓ P21728 2/20 0.44
▸ DRD3 known ✓ P35462 2/20 0.44

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
Hydrochloric Acid SCHEMBL29903032 1.00 BPTF (0.62) BPTFADRB1PLD1GRIN2DGRIN3B
SCHEMBL29902963 0.98 BPTF (0.64) BPTFADRB1PLD1GRIN2DGRIN3B
SCHEMBL82373 0.98 BPTF (0.64) BPTFADRB1PLD1GRIN2DGRIN3B
SCHEMBL5235313 0.92 BPTF (0.58) BPTFADRB1PLD1GRIN2DGRIN3B
SCHEMBL21424864 0.85 GRIN2D (0.59) BPTFGRIN2DGRIN3BGRIN1GRIN2A
Tert-Butyl Formate SCHEMBL27875872 0.83 BPTF (0.50) BPTFADRB1PLD1GRIN2DGRIN3B
SCHEMBL31415358 0.81 CNR2 (0.59) BPTFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL806544 0.81 CNR2 (0.59) BPTFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11988476 0.81 GRIN2D (0.56) BPTFGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1108644 0.79 CNR2 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2024-05-28 — — US disclosed
CN-110167926-B Poly-ADP ribose polymerase (PARP) inhibitors 米托布里奇公司 2022-09-13 — — CN disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 — — US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 — — US disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 — — EP disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 — — US disclosed
EP-3562822-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Mitobridge, Inc. (US) 2019-11-06 — — EP disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 ADRB1 2811/4885GRIN2D 4599/4885GRIN3B 4025/4885
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 ADRB1 2811/4885GRIN2D 4599/4885GRIN3B 4025/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 ADRB1 2811/4885GRIN2D 4599/4885GRIN3B 4025/4885
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 ADRB1 2811/4885GRIN2D 4599/4885GRIN3B 4025/4885

“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.

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