SCHEMBL3740867

SCHEMBL3740867

COc1ccc(CC2CCCCC2(O)C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TRPA1 O75762 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC22A1 O15245 3/20 0.39
SLC6A2 P23975 3/20 0.39
OPRM1 P35372 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4370492 0.71 ALDH1A1 (0.46) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL3365060 0.68 LTA4H (0.51) EPHX2
SCHEMBL726240 0.68 KDM1A (0.43) ALDH1A1SLC6A4SLC6A3SLC22A1SLC6A2
SCHEMBL28829904 0.67 GLA (0.50)
SCHEMBL6628369 0.67 LTA4H (0.54) NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL10781112 0.66 SLC6A4 (0.43) SLC6A4SLC22A1SLC6A2OPRM1CHRM2
SCHEMBL23835985 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3718795 0.65 SLC6A2 (0.48) GAATSHRSLC6A4SLC6A3SLC6A2
SCHEMBL3367622 0.65 LTA4H (0.48)
SCHEMBL13610572 0.64 TSHR (0.52) ALDH1A1TSHRSLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876369-A Synthesis method of venlafaxine hydrochloride intermediate 北京福元医药股份有限公司沧州分公司 2021-06-01 CN disclosed
CN-106866434-B A kind of preparation method of VENLAFAXINE HCL intermediate 齐鲁天和惠世制药有限公司 2018-10-30 CN disclosed
CN-104326927-A Preparation method of 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol sulfate QILU TIANHE PHARMACEUTICAL CO LTD 2015-02-04 CN disclosed
CN-101503365-B Preparation of venlafaxine intermediate 1-[2-amino-1-(4-methoxy phenyl)ethyl] cyclohexanol CHENGDU QIAOFENG TECHNOLOGICAL DEV CO LTD 2012-11-07 CN disclosed
US-8304578-B2 Process for producing 1-[2-(dimethylamino)-1-(4-phenol)ethyl]cyclohexanol MATRIX LABORATORIES LIMITED (IN) 2012-11-06 US disclosed
US-20100286447-A1 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
CN-101503365-A Preparation of venlafaxine intermediate 1-[2-amino-1-(4-methoxy phenyl)ethyl] cyclohexanol CHENGDU QIAOFENG TECHNOLOGICAL (CN) 2009-08-12 CN disclosed
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO disclosed
WO-2007094008-A3 A NOVEL PROCESS FOR PREPARATION OF VENLAFAXINE HYDROCHLORIDE AND ITS INTERMEDIATES UNICHEM LAB LTD (IN) 2009-05-14 WO disclosed
WO-2007094008-A2 A NOVEL PROCESS FOR PREPARATION OF VENLAFAXINE HYDROCHLORIDE AND ITS INTERMEDIATES UNICHEM LABORATORIES LIMITED (IN) 2007-08-23 WO disclosed
WO-2007094008-A2 A NOVEL PROCESS FOR PREPARATION OF VENLAFAXINE HYDROCHLORIDE AND ITS INTERMEDIATES UNICHEM LABORATORIES LIMITED (IN) 2007-08-23 WO disclosed
EP-1238967-B1 A process for the preparation of 1-(cyano(aryl)methyl) cyclohexanol COUNCIL SCIENT IND RES (IN) 2005-04-27 EP disclosed
US-6504044-B2 Reacting cyclohexanone with the carbanions of an aryl acetonitrile using a base, isolating and purifying 1-(cyano(aryl)methyl) cyclohexanol compound by crystallization COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-01-07 US disclosed
EP-1238967-A1 A process for the preparation of 1-(cyano(aryl)methyl) cyclohexanol Council of Scientific and Industrial Research (IN) 2002-09-11 EP disclosed
US-20020120164-A1 Process for the preparation of 1-[cyano(aryl)methyl] cyclohexanol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2002-08-29 US 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 (2 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-20100286447-A1 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL COMT, HTR1A, TPH1 ALDH1A1 358/4885TRPA1 3965/4885GAA 418/4885
US-20020120164-A1 Process for the preparation of 1-[cyano(aryl)methyl] cyclohexanol CYP2S1, C1S, CYP1B1 ALDH1A1 1390/4885TRPA1 4163/4885GAA 2358/4885

“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.