SCHEMBL4048882

SCHEMBL4048882

CN(C)C1(Cc2ccccc2Cl)CCC(NC(=O)CCC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.41
CCR2 P41597 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
ACKR3 P25106 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 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
SCHEMBL4047391 0.94 KMT2A (0.47) MAPTPOLBHPGDKMT2ACCR2
SCHEMBL16143777 0.91 MAPT (0.44) MAPTPOLBHPGDKMT2ACCR2
SCHEMBL4056032 0.88 CCR2 (0.46) MAPTKMT2ACCR2SIGMAR1OPRM1
SCHEMBL4049886 0.83 MAPT (0.45) MAPTPOLBHPGDKMT2ACCR2
SCHEMBL4050182 0.82 KMT2A (0.51) POLBHPGDKMT2AOPRM1OPRL1
SCHEMBL2985870 0.82 ATF4 (0.59) POLBHPGDKMT2ALMNAALDH1A1
SCHEMBL4045470 0.82 ACKR3 (0.48) MAPTKMT2ATP53LMNAACKR3
SCHEMBL4055346 0.82 ACKR3 (0.48) HPGDKMT2ASIGMAR1OPRM1OPRL1
SCHEMBL16143615 0.82 ACKR3 (0.48) MAPTKMT2ATP53LMNAACKR3
SCHEMBL16143480 0.81 SIGMAR1 (0.42) MAPTHPGDKMT2ACCR2SIGMAR1

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 MAPT 1481/4885POLB 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.