SCHEMBL4048579

SCHEMBL4048579

CN(C)C1(Cc2ccc(F)cc2)CCC(NC(=O)CCC(=O)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ACKR3 P25106 3/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
CCR2 P41597 1/20 0.40
CACNA1G O43497 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
SCHEMBL4054730 0.96 ACKR3 (0.50) KMT2AACKR3ALDH1A1MEN1OPRM1
SCHEMBL4054571 0.91 ACKR3 (0.49) KMT2AACKR3ALDH1A1MEN1
SCHEMBL4048631 0.91 KMT2A (0.51) KMT2AALDH1A1MEN1OPRM1OPRL1
SCHEMBL4045470 0.90 ACKR3 (0.48) KMT2AACKR3ALDH1A1MEN1
SCHEMBL16143615 0.90 ACKR3 (0.48) KMT2AACKR3ALDH1A1MEN1
SCHEMBL4052294 0.87 ACKR3 (0.48) KMT2AACKR3ALDH1A1MEN1OPRM1
SCHEMBL4055346 0.86 ACKR3 (0.48) KMT2AACKR3ALDH1A1MEN1OPRM1
SCHEMBL4056032 0.85 CCR2 (0.46) KMT2AMEN1OPRM1OPRL1SIGMAR1
SCHEMBL4049689 0.84 KMT2A (0.53) KMT2AMEN1OPRM1OPRL1CCR2
SCHEMBL4048483 0.84 SIGMAR1 (0.48) KMT2AACKR3ALDH1A1MEN1SIGMAR1

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 3911/4885ACKR3 3574/4885ALDH1A1 264/4885

“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.