SCHEMBL3406231

SCHEMBL3406231

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.42
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
HTR1D P28221 4/20 0.35
HTR1B P28222 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
OPRL1 P41146 4/20 0.35
OPRM1 P35372 5/20 0.34
OPRK1 P41145 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL3408763 0.88 OPRL1 (0.44) OPRL1OPRM1BCHEACHELMNA
SCHEMBL3402489 0.85 OPRL1 (0.51) HTR6GPR84OPRL1OPRM1
SCHEMBL3402346 0.84 MET (0.46) HTR6CHRM2CHRM1CHRM3GPR84
SCHEMBL3406604 0.84 HTR6 (0.42) HTR6CHRM2CHRM1CHRM3GPR84
SCHEMBL3404761 0.83 OPRM1 (0.47) HTR6GPR84OPRL1OPRM1
SCHEMBL4094827 0.79 HTR6 (0.37) HTR6CHRM2CHRM1CHRM3CHRNB2
SCHEMBL3402372 0.78 HTR6 (0.34) HTR6CHRM2CHRM1CHRM3CHRNB2
SCHEMBL3430018 0.73 BCHE (0.44) HTR6OPRL1OPRM1BCHEACHE
SCHEMBL3405979 0.72 OPRL1 (0.65) OPRL1OPRM1BCHEACHELMNA
SCHEMBL3405079 0.70 OPRM1 (0.41) OPRL1OPRM1OPRK1LMNAOGFRL1

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 6 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
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 305/4885CHRM2 398/4885CHRM1 281/4885

“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.