SCHEMBL4120433

SCHEMBL4120433

CN(C)C1(Cc2ccccc2)CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.60
OPRL1 P41146 6/20 0.60
OPRK1 P41145 1/20 0.60
OGFRL1 Q5TC84 1/20 0.48
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TACR1 P25103 1/20 0.41
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
GBA1 P04062 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
SCHEMBL14601364 0.86 OPRM1 (0.76) OPRM1OPRL1OPRK1OGFRL1ALDH1A1
SCHEMBL17438658 0.84 OPRM1 (0.55) OPRM1OPRL1OPRK1OGFRL1MEN1
SCHEMBL4118117 0.82 OPRM1 (0.45) OPRM1OPRL1OPRK1MEN1ALDH1A1
SCHEMBL2464748 0.81 OPRM1 (0.64) OPRM1OPRL1OPRK1OGFRL1ALDH1A1
SCHEMBL5569970 0.79 OPRM1 (0.62) OPRM1OPRL1OPRK1OGFRL1ALDH1A1
Hydrochloric Acid SCHEMBL11729597 0.79 OPRL1 (0.62) OPRM1OPRL1OPRK1OGFRL1KMT2A
SCHEMBL15681094 0.78 OPRM1 (0.60) OPRM1OPRL1OPRK1OGFRL1KMT2A
SCHEMBL13757097 0.77 TSHR (0.46) OPRM1OPRL1OPRK1MEN1ALDH1A1
SCHEMBL22538598 0.77 OPRM1 (0.48) OPRM1OPRL1OPRK1OGFRL1KMT2A
SCHEMBL14028057 0.76 OPRM1 (0.58) OPRM1OPRL1OPRK1OGFRL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 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 (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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A OPRM1 29/4885OPRL1 23/4885OPRK1 13/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 OPRM1 2798/4885OPRL1 2189/4885OPRK1 2548/4885
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 OPRM1 9/4885OPRL1 6/4885OPRK1 5/4885

“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.