SCHEMBL3208971

SCHEMBL3208971

OC1(CCc2ccccc2)CCC(Cc2ccccc2)(N2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.49
OPRL1 P41146 6/20 0.49
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR5 P51681 2/20 0.36
TSHR P16473 1/20 0.36

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
Hydrochloric Acid SCHEMBL3207485 0.99 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1SLC6A3
SCHEMBL28914563 0.79 OPRM1 (0.69) OPRM1OPRL1OPRD1OPRK1SIGMAR1
Bromide SCHEMBL10842432 0.76 MAOA (0.44) OPRM1OPRL1OPRD1OPRK1SLC6A3
SCHEMBL4204848 0.76 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1SLC6A3
SCHEMBL17493640 0.74 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL4989701 0.74 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3218429 0.74 POLB (0.40) OPRM1OPRD1SLC6A3SIGMAR1NPC1
SCHEMBL8425548 0.73 OPRL1 (0.47) OPRM1OPRL1OPRD1OPRK1SIGMAR1
Hydrochloric Acid SCHEMBL27656058 0.73 OPRM1 (0.59) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3216979 0.73 MEN1 (0.41) OPRM1OPRD1SLC6A3SIGMAR1TSHR

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
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US claimed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP claimed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US claimed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 WO claimed
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US disclosed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP disclosed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US disclosed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 WO 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-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 OPRM1 6/4885OPRL1 4/4885OPRD1 2/4885

“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.