SCHEMBL4050182

SCHEMBL4050182

Cc1ccccc1CC1(N(C)C)CCC(NC(=O)CCC(=O)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ACKR3 P25106 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL16143777 0.92 MAPT (0.44) KMT2AALDH1A1OPRM1OPRL1HPGD
SCHEMBL4047391 0.88 KMT2A (0.47) KMT2AALDH1A1OPRM1OPRL1HPGD
SCHEMBL4048631 0.85 KMT2A (0.51) KMT2AALDH1A1OPRM1OPRL1RAB9A
SCHEMBL16143748 0.83 MAPK14 (0.42) ALDH1A1OPRM1OPRL1
SCHEMBL2985188 0.82 MEN1 (0.50) KMT2AOPRM1OPRL1HPGDRAB9A
SCHEMBL4048882 0.82 MAPT (0.44) KMT2AALDH1A1OPRM1OPRL1HPGD
SCHEMBL4052851 0.82 KMT2A (0.48) KMT2AALDH1A1OPRM1OPRL1RAB9A
SCHEMBL4050176 0.82 CCR2 (0.43) KMT2AOPRM1OPRL1ADRA1DADRA1A
SCHEMBL4055346 0.82 ACKR3 (0.48) KMT2AALDH1A1OPRM1OPRL1HPGD
SCHEMBL4048579 0.82 KMT2A (0.47) KMT2AALDH1A1OPRM1OPRL1ACKR3

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 3911/4885ALDH1A1 264/4885OPRM1 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.