SCHEMBL3405079

SCHEMBL3405079

CC[Si](CC)(CC)c1[nH]c2ccccc2c1COCC1CCC(Cc2ccccc2)(N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.41
OGFRL1 Q5TC84 1/20 0.41
OPRL1 P41146 6/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL4094827 0.91 HTR6 (0.37) OPRM1OGFRL1OPRL1OPRK1ADORA2A
SCHEMBL3430129 0.90 OPRM1 (0.35) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL3400611 0.88 OPRM1 (0.39) OPRM1OGFRL1OPRL1OPRK1ALDH1A1
SCHEMBL3403029 0.87 OPRM1 (0.33) OPRM1OGFRL1OPRL1OPRK1ADORA2A
SCHEMBL4103600 0.86 OPRM1 (0.36) OPRM1OPRL1ADORA2AADORA1MEN1
Hydrochloric Acid SCHEMBL3406467 0.86 OPRM1 (0.33) OPRM1OGFRL1OPRL1OPRK1ADORA2A
SCHEMBL3405919 0.84 OPRM1 (0.46) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL3434716 0.81 BCHE (0.37) ADORA2AADORA1MAPTFNTAFNTB
SCHEMBL3402372 0.79 HTR6 (0.34) OPRM1OGFRL1OPRL1OPRK1
SCHEMBL3428388 0.78 OPRM1 (0.33) OPRM1OGFRL1OPRL1OPRK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP claimed
CN-102015640-A Substituted 4-aminocyclohexane derivatives for the treatment of pain GRUENENTHAL GMBH 2011-04-13 CN claimed
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 EP claimed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 WO claimed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP disclosed
CN-102015640-A Substituted 4-aminocyclohexane derivatives for the treatment of pain GRUENENTHAL GMBH 2011-04-13 CN disclosed
EP-2254864-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2010-12-01 EP disclosed
WO-2009106307-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2009-09-03 WO disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 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 (1 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-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 OPRM1 7/4885OGFRL1 695/4885OPRL1 1/4885

“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.