SCHEMBL4344782

SCHEMBL4344782

CN(C)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.62
SLC6A3 Q01959 2/20 0.62
SLC6A2 P23975 1/20 0.62
OPRM1 P35372 9/20 0.52
OPRL1 P41146 8/20 0.52
KDM1A O60341 2/20 0.47
OPRK1 P41145 1/20 0.47
OGFRL1 Q5TC84 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL27826344 0.83 OPRL1 (0.50) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL5160213 0.83 OPRM1 (0.50) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL22112097 0.81 OPRM1 (0.49) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL517439 0.81 OPRL1 (0.50) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL4344633 0.81 OPRL1 (0.49) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL316598 0.80 OPRL1 (0.66) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL526471 0.79 OPRM1 (0.52) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
Hydrochloric Acid SCHEMBL5572136 0.79 OPRL1 (0.64) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL22112324 0.79 SLC6A4 (0.62) SLC6A4SLC6A3SLC6A2OPRM1OPRL1
SCHEMBL2202407 0.78 OPRM1 (0.50) SLC6A4SLC6A3SLC6A2OPRM1OPRL1

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
WO-2020120539-A1 NEW PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-18 WO 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
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 SLC6A4 677/4885SLC6A3 1002/4885SLC6A2 1369/4885
US-20090247530-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SLC6A4 677/4885SLC6A3 1002/4885SLC6A2 1369/4885
US-20120202810-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SLC6A4 677/4885SLC6A3 1002/4885SLC6A2 1369/4885
US-20130197095-A1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES OPRL1, OPRK1, OPRD1 SLC6A4 677/4885SLC6A3 1002/4885SLC6A2 1369/4885

“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.