SCHEMBL4121900

SCHEMBL4121900

CNC(=O)C(NC(=O)c1nc(-c2cc(F)cc(C(F)(F)F)c2)n2c1CN(C)CCC2)C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.71
CNR1 P21554 7/20 0.43
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
TP53 P04637 2/20 0.33
THRB P10828 2/20 0.33
BLM P54132 1/20 0.32
SYK P43405 1/20 0.31

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
SCHEMBL4121897 1.00 CNR2 (0.71) CNR2CNR1CSNK1DCSNK1ETP53
SCHEMBL1175653 0.95 CNR2 (0.75) CNR2CNR1SYK
SCHEMBL1175654 0.95 CNR2 (0.75) CNR2CNR1SYK
SCHEMBL1175384 0.93 CNR2 (0.78) CNR2CNR1TP53THRBBLM
SCHEMBL1175387 0.93 CNR2 (0.78) CNR2CNR1TP53THRBBLM
SCHEMBL1175377 0.90 CNR2 (0.68) CNR2CNR1TP53
SCHEMBL1175373 0.90 CNR2 (0.68) CNR2CNR1TP53
SCHEMBL1176013 0.89 CNR2 (0.80) CNR2CNR1TP53THRBSYK
SCHEMBL4116997 0.89 CNR2 (0.72) CNR2CNR1TP53THRB
SCHEMBL1176015 0.89 CNR2 (0.80) CNR2CNR1TP53THRBSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CNR1 1/4885CSNK1D 194/4885

“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.