SCHEMBL4052895

SCHEMBL4052895

O=C(CCC(=O)c1ccc(Cl)cc1)NC1CCC(c2ccccc2)(N2CCOCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.46
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ACKR3 P25106 1/20 0.40
DRD2 P14416 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL4046657 0.83 KMT2A (0.53) CCR2KMT2AALDH1A1SIGMAR1ACKR3
SCHEMBL4054898 0.80 ACKR3 (0.59) KMT2AALDH1A1HRH3SIGMAR1ACKR3
SCHEMBL2985682 0.78 GLA (0.41) KMT2AEPHX2
SCHEMBL2976512 0.78 RAB9A (0.54) KMT2AMAPTALDH1A1LMNA
SCHEMBL4047610 0.78 OPRL1 (0.62) CCR2KMT2AMAPT
Hydrochloric Acid SCHEMBL4049134 0.77 OPRM1 (0.64) CCR2KMT2AMAPT
SCHEMBL2985718 0.72 PPARA (0.54) ALDH1A1LMNATHRB
SCHEMBL4056032 0.72 CCR2 (0.46) CCR2KMT2AMAPTLMNASIGMAR1
SCHEMBL2985714 0.69 SMN1; SMN2 (0.43) KMT2AMAPTALDH1A1
SCHEMBL2987227 0.69 CYP3A4 (0.42) KMT2AMAPTALDH1A1

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 CCR2 2825/4885KMT2A 3911/4885MAPT 1481/4885

“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.