SCHEMBL4047391

SCHEMBL4047391

CN(C)C1(Cc2ccccc2Cl)CCC(NC(=O)CCC(=O)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
CCR2 P41597 2/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4048882 0.94 MAPT (0.44) KMT2APOLBHPGDSIGMAR1OPRM1
SCHEMBL4050182 0.88 KMT2A (0.51) KMT2APOLBHPGDOPRM1OPRL1
SCHEMBL16143777 0.85 MAPT (0.44) KMT2APOLBHPGDOPRM1OPRL1
SCHEMBL4056032 0.83 CCR2 (0.46) KMT2ASIGMAR1OPRM1OPRL1CCR2
SCHEMBL4048631 0.82 KMT2A (0.51) KMT2APOLBOPRM1OPRL1CCR2
SCHEMBL4050176 0.82 CCR2 (0.43) KMT2ASIGMAR1OPRM1OPRL1CCR2
SCHEMBL4055346 0.82 ACKR3 (0.48) KMT2AHPGDSIGMAR1OPRM1OPRL1
SCHEMBL2987316 0.81 POLB (0.50) KMT2APOLBHPGDTSHRALDH1A1
SCHEMBL4048579 0.81 KMT2A (0.47) KMT2ASIGMAR1OPRM1OPRL1CCR2
SCHEMBL2985707 0.80 ALDH1A1 (0.44) KMT2APOLBHPGDSIGMAR1OPRM1

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 6 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

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 KMT2A 3911/4885POLB 1016/4885HPGD 179/4885

“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.