SCHEMBL4344633

SCHEMBL4344633

CC1CCC(c2cccc(F)c2)(N(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.49
OPRM1 P35372 10/20 0.49
KDM1A O60341 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
OGFRL1 Q5TC84 1/20 0.43
OPRK1 P41145 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CCR2 P41597 1/20 0.41

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
SCHEMBL316598 0.86 OPRL1 (0.66) OPRL1OPRM1KDM1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5572136 0.84 OPRL1 (0.64) OPRL1OPRM1KDM1ASLC6A2SLC6A4
SCHEMBL1044573 0.82 OPRM1 (0.50) OPRL1OPRM1KDM1ASLC6A2SLC6A4
SCHEMBL8766447 0.81 KDM1A (0.47) OPRL1OPRM1KDM1ASLC6A2SLC6A4
SCHEMBL4344782 0.81 SLC6A4 (0.62) OPRL1OPRM1KDM1ASLC6A2SLC6A4
SCHEMBL2985663 0.80 OPRM1 (0.51) OPRL1OPRM1KDM1ASLC6A2SLC6A4
SCHEMBL4357610 0.79 OPRL1 (0.70) OPRL1OPRM1OPRK1
SCHEMBL5160213 0.79 OPRM1 (0.50) OPRL1OPRM1KDM1ASLC6A2SLC6A4
SCHEMBL27826344 0.79 OPRL1 (0.50) OPRL1OPRM1KDM1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5572132 0.79 OPRM1 (0.50) OPRL1OPRM1KDM1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580386-B2 Substituted 4-aminocyclohexane derivatives GRÜNENTHAL (DE) 2017-02-28 US disclosed
US-9403767-B2 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2016-08-02 US disclosed
US-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2014-12-04 US disclosed
US-8835689-B2 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2014-09-16 US disclosed
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2013-08-01 US disclosed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 US disclosed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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 (4 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-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885KDM1A 2884/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885KDM1A 2884/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885KDM1A 2884/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885KDM1A 2884/4885

“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.