SCHEMBL315897

SCHEMBL315897

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)c2cccnc2Oc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
CNR1 P21554 4/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK8 P45983 2/20 0.47
UGCG Q16739 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL316096 0.94 CNR2 (0.55) CNR2CNR1ALDH1A1MAPK8UGCG
SCHEMBL316105 0.92 L3MBTL1 (0.51) CNR2CNR1ALDH1A1MAPK8UGCG
SCHEMBL316471 0.91 CNR2 (0.55) CNR2CNR1ALDH1A1MAPK8
SCHEMBL316046 0.91 ALDH1A1 (0.51) CNR2CNR1POLBALDH1A1MAPK8
SCHEMBL2981687 0.86 CNR2 (0.49) CNR2CNR1ALDH1A1MAPK8KDM4E
SCHEMBL315865 0.85 CNR2 (0.49) CNR2CNR1ALDH1A1MAPK8
SCHEMBL315680 0.85 ALDH1A1 (0.48) CNR2CNR1ALDH1A1MAPK8KDM4E
SCHEMBL316300 0.85 CNR2 (0.53) CNR2CNR1ALDH1A1MAPK8UGCG
SCHEMBL316066 0.84 ALDH1A1 (0.47) CNR2CNR1ALDH1A1MAPK8
SCHEMBL5242114 0.84 CNR2 (0.46) CNR2CNR1MAPK8UGCG

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-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP claimed
US-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP disclosed
US-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US disclosed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 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-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 CNR2 1164/4885CNR1 920/4885POLB 1108/4885

“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.