SCHEMBL3402372

SCHEMBL3402372

CN(C)C1(Cc2ccccc2)CCC(COCc2c([Si](C)(C)C(C)(C)C)[nH]c3ccncc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.34
OPRM1 P35372 3/20 0.33
OGFRL1 Q5TC84 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHEK1 O14757 2/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL3400611 0.91 OPRM1 (0.39) OPRM1OGFRL1OPRK1OPRL1
SCHEMBL4094827 0.88 HTR6 (0.37) HTR6OPRM1OGFRL1CHRM2CHRM1
SCHEMBL3432066 0.86 OPRL1 (0.40) HTR6OPRM1OGFRL1OPRL1
SCHEMBL3428388 0.86 OPRM1 (0.33) OPRM1OGFRL1OPRK1OPRL1
SCHEMBL3405060 0.86 OPRM1 (0.32) OPRM1OGFRL1CHRM2CHRM1CHRM3
SCHEMBL3405079 0.79 OPRM1 (0.41) OPRM1OGFRL1OPRK1OPRL1
SCHEMBL3406231 0.78 HTR6 (0.42) HTR6OPRM1OGFRL1CHRM2CHRM1
SCHEMBL3434301 0.76 OPRM1 (0.43) OPRM1OGFRL1OPRK1OPRL1
SCHEMBL3408804 0.74 HTR6 (0.34) HTR6
SCHEMBL3402459 0.74 OPRL1 (0.41) HTR6OPRM1OGFRL1OPRL1

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
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP 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
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 HTR6 305/4885OPRM1 7/4885OGFRL1 695/4885

“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.