SCHEMBL1574471

SCHEMBL1574471

COC1(Cc2ccccc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
OPRM1 P35372 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
GBA1 P04062 1/20 0.38
GRIN2B Q13224 2/20 0.38

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 SCHEMBL3251338 0.98 TACR1 (0.43) TACR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL18081137 0.90 SLC6A2 (0.43) TACR1MEN1ALDH1A1CYP2C9TSHR
Hydrochloric Acid SCHEMBL18038845 0.88 SLC6A2 (0.43) TACR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL16601016 0.83 MAOA (0.45) OPRM1MAOAMAOBSLC6A2SLC6A4
SCHEMBL8111267 0.83 AQP1 (0.39) ALDH1A1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL27767395 0.83 TACR1 (0.42) TACR1MEN1ALDH1A1CYP2C9TSHR
SCHEMBL17542140 0.81 MAOA (0.39) MAOAMAOBGRIN2B
SCHEMBL18727495 0.81 MAOA (0.44) ALDH1A1OPRM1MAOAMAOBSLC6A2
SCHEMBL8118413 0.81 HTR6 (0.41) MEN1ALDH1A1KMT2AOPRM1MAOB
SCHEMBL11153360 0.81 TACR1 (0.43) TACR1MEN1ALDH1A1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 EP disclosed
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 EP disclosed
US-8618133-B2 Aralkyl alcohol pyridine derivative compounds and the use thereof as medicaments for treating depression JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2013-12-31 US disclosed
US-20110160247-A1 Aralkyl alcohol piperidine derivative and the use thereof as a medicament for treating depression JIANGSU GOWORTH INVESTMENT CO. LTD (CN) 2011-06-30 US disclosed
EP-2305644-A1 ARALKYL ALCOHOL PIPERIDINE DERIVATIVE AND THE USE AS MEDICAMENT FOR TREATING DEPRESSION THEREOF Jiangsu Goworth Investment Co. Ltd (CN) 2011-04-06 EP disclosed
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
US-6048878-A Substituted piperidine derivatives as selective agonists of 5-HT receptors MERCK SHARP & DOHME LTD. (GB) 2000-04-11 US disclosed
EP-0862568-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AS SELECTIVE AGONISTS OF 5-HT RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1998-09-09 EP disclosed
WO-1997018202-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AS SELECTIVE AGONISTS OF 5-HT RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1997-05-22 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 (8 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TACR1 4715/4885MEN1 4542/4885ALDH1A1 2651/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TACR1 4721/4885MEN1 4627/4885ALDH1A1 2460/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 TACR1 4715/4885MEN1 4542/4885ALDH1A1 2651/4885
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TACR1 19/4885MEN1 2624/4885ALDH1A1 3771/4885
US-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 TACR1 2165/4885MEN1 4246/4885ALDH1A1 1564/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR TACR1 4674/4885MEN1 4816/4885ALDH1A1 3404/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 TACR1 2165/4885MEN1 4246/4885ALDH1A1 1564/4885
US-20110160247-A1 Aralkyl alcohol piperidine derivative and the use thereof as a medicament for treating depression DRD4, DRD5, DRD3 TACR1 1020/4885MEN1 4007/4885ALDH1A1 53/4885

“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.