SCHEMBL4054730

SCHEMBL4054730

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.50
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
SLC6A12 P48065 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MCHR1 Q99705 1/20 0.43
CACNA1G O43497 1/20 0.41

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
SCHEMBL4048579 0.96 KMT2A (0.47) ACKR3ALDH1A1KMT2AMEN1OPRM1
SCHEMBL4052294 0.91 ACKR3 (0.48) ACKR3ALDH1A1KMT2AMEN1OPRM1
SCHEMBL4054571 0.91 ACKR3 (0.49) ACKR3ALDH1A1KMT2AMEN1MCHR1
SCHEMBL16143615 0.90 ACKR3 (0.48) ACKR3ALDH1A1KMT2AMEN1
SCHEMBL4045470 0.90 ACKR3 (0.48) ACKR3ALDH1A1KMT2AMEN1
SCHEMBL4056032 0.90 CCR2 (0.46) KMT2AMEN1OPRM1OPRL1L3MBTL1
SCHEMBL4048483 0.88 SIGMAR1 (0.48) ACKR3ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4055346 0.88 ACKR3 (0.48) ACKR3ALDH1A1KMT2AMEN1OPRM1
SCHEMBL4048631 0.86 KMT2A (0.51) ALDH1A1KMT2AMEN1OPRM1OPRL1
SCHEMBL16143480 0.84 SIGMAR1 (0.42) ACKR3ALDH1A1KMT2AMEN1SIGMAR1

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 ACKR3 3574/4885ALDH1A1 264/4885KMT2A 3911/4885

“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.