SCHEMBL4047610

SCHEMBL4047610

CN(C)C1(c2ccccc2)CCC(NC(=O)CCC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.62
OPRM1 P35372 12/20 0.62
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR2 P41597 2/20 0.45

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 SCHEMBL4049134 0.99 OPRM1 (0.64) OPRL1OPRM1MAPTKMT2ACCR2
SCHEMBL208418 0.83 OPRM1 (0.60) OPRL1OPRM1KMT2A
SCHEMBL4056032 0.83 CCR2 (0.46) OPRL1OPRM1MAPTKMT2ACCR2
SCHEMBL4048882 0.79 MAPT (0.44) OPRL1OPRM1MAPTKMT2ACCR2
SCHEMBL16143777 0.79 MAPT (0.44) OPRL1OPRM1MAPTKMT2ACCR2
SCHEMBL4052895 0.78 CCR2 (0.46) MAPTKMT2ACCR2
SCHEMBL4850386 0.78 OPRL1 (0.74) OPRL1OPRM1
SCHEMBL206639 0.77 OPRM1 (0.58) OPRL1OPRM1
SCHEMBL208501 0.77 OPRM1 (0.60) OPRL1OPRM1KMT2A
Hydrochloric Acid SCHEMBL4850777 0.77 OPRL1 (0.77) OPRL1OPRM1

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
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
EP-1751088-A1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 EP claimed
WO-2005110970-A1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP disclosed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US disclosed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US disclosed
EP-1751088-A1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 EP disclosed
WO-2005110970-A1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 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-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC OPRL1 782/4885OPRM1 743/4885MAPT 1481/4885

“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.