SCHEMBL3411685

SCHEMBL3411685

CN(C)C1(c2ccccc2)CCC(c2ccccc2)(N2CCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
GRIN2D O15399 1/20 0.64
GRIN3B O60391 1/20 0.64
CYP2B6 P20813 1/20 0.64
SLC6A2 P23975 1/20 0.64
SLC6A4 P31645 1/20 0.64
PRCP P42785 1/20 0.64
SLC6A3 Q01959 1/20 0.64
GRIN1 Q05586 1/20 0.64
KCNH2 Q12809 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
GRIN3A Q8TCU5 1/20 0.64
OPRL1 P41146 11/20 0.63
OPRM1 P35372 10/20 0.63
OPRK1 P41145 3/20 0.63
OPRD1 P41143 1/20 0.62

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
SCHEMBL19634059 0.86 GRIN1 (0.84) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL28282384 0.84 GRIN1 (0.88) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL30364176 0.82 SIGMAR1 (0.77) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL3413521 0.80 OPRL1 (1.00) OPRL1OPRM1OPRK1
SCHEMBL3407425 0.78 OPRL1 (0.56) OPRL1OPRM1OPRK1
Phencyclidine SCHEMBL17008793 0.78 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL9153279 0.78 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
Phencyclidine SCHEMBL42022 0.78 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
Rolicyclidine SCHEMBL517928 0.78 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL3407014 0.78 OPRM1 (0.98) OPRL1OPRM1OPRK1OPRD1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502907-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2018-08-29 EP claimed
US-20140357634-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2014-12-04 US claimed
EP-2502907-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-09-26 EP claimed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 US claimed
EP-2260021-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-15 EP claimed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US claimed
WO-2009118168-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO claimed
EP-2502907-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2018-08-29 EP disclosed
EP-2518052-B1 Substituted 4-aminocyclohexane derivatives GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
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
EP-2518052-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-10-31 EP disclosed
EP-2502907-A1 Substituted 4-aminocyclohexane derivatives Grünenthal GmbH (DE) 2012-09-26 EP disclosed
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2012-08-09 US disclosed
EP-2260021-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2010-12-15 EP disclosed
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US disclosed
WO-2009118168-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 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 (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 SIGMAR1 9/4885GRIN2D 240/4885GRIN3B 102/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SIGMAR1 9/4885GRIN2D 240/4885GRIN3B 102/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SIGMAR1 9/4885GRIN2D 240/4885GRIN3B 102/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SIGMAR1 9/4885GRIN2D 240/4885GRIN3B 102/4885

“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.