SCHEMBL4056032

SCHEMBL4056032

CN(C)C1(Cc2ccccc2)CCC(NC(=O)CCC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.46
MAPT P10636 2/20 0.46
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
KMT2A Q03164 2/20 0.45
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.40
AGER Q15109 1/20 0.39

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
SCHEMBL4049886 0.91 MAPT (0.45) CCR2MAPTKMT2ALMNAMEN1
SCHEMBL4045470 0.90 ACKR3 (0.48) MAPTKMT2ALMNAMEN1
SCHEMBL16143615 0.90 ACKR3 (0.48) MAPTKMT2ALMNAMEN1
SCHEMBL4054992 0.90 CCR2 (0.59) CCR2OPRM1OPRL1KMT2ASIGMAR1
SCHEMBL4054730 0.90 ACKR3 (0.50) OPRM1OPRL1KMT2ASIGMAR1MEN1
SCHEMBL16143480 0.88 SIGMAR1 (0.42) CCR2MAPTKMT2ASIGMAR1MEN1
SCHEMBL4048882 0.88 MAPT (0.44) CCR2MAPTOPRM1OPRL1KMT2A
SCHEMBL16143777 0.87 MAPT (0.44) CCR2MAPTOPRM1OPRL1KMT2A
SCHEMBL4048631 0.86 KMT2A (0.51) CCR2OPRM1OPRL1KMT2AMEN1
SCHEMBL4048579 0.85 KMT2A (0.47) CCR2OPRM1OPRL1KMT2ASIGMAR1

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
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US claimed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US 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 CCR2 2825/4885MAPT 1481/4885OPRM1 743/4885

“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.