SCHEMBL4867950

SCHEMBL4867950

CN(C)C1(c2cccc(F)c2)CCC(NC(=O)CCNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.49
OPRL1 P41146 14/20 0.49
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL4867891 0.84 KMT2A (0.41) OPRM1OPRL1EPHX1MEN1KMT2A
SCHEMBL16143892 0.81 OPRM1 (0.45) OPRM1OPRL1CYP2C19GPR119
SCHEMBL2987893 0.80 OPRM1 (0.51) OPRM1OPRL1CYP2C19MEN1KMT2A
SCHEMBL2978912 0.79 OPRM1 (0.54) OPRM1OPRL1CYP2C19
SCHEMBL4854782 0.78 OPRL1 (0.61) OPRM1OPRL1
SCHEMBL207976 0.75 OPRM1 (0.60) OPRM1OPRL1
SCHEMBL4867137 0.74 KMT2A (0.48) OPRM1OPRL1EPHX1MEN1KMT2A
SCHEMBL8693601 0.73 EPHX1 (0.64) EPHX1MEN1KMT2A
SCHEMBL15127553 0.73 OPRL1 (0.51) OPRM1OPRL1
SCHEMBL4869393 0.72 EPHX1 (0.42) OPRM1OPRL1EPHX1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439394-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2008-10-21 US claimed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 US claimed
US-7439394-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2008-10-21 US disclosed
US-20070117803-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-24 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-20070117803-A1 Cyclohexyl-1,4-diamine compounds PKD1, DDC, DPYD OPRM1 3175/4885OPRL1 2751/4885CYP2C19 107/4885

“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.