SCHEMBL4126652

SCHEMBL4126652

CNC(=O)[C@@H](NC(=O)c1nc(-c2cc(F)ccc2O)n2c1CN(C)CCC2)C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.70
CNR1 P21554 7/20 0.42
PIK3CA P42336 3/20 0.36
ADAM17 P78536 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4126660 1.00 CNR2 (0.70) CNR2CNR1PIK3CAADAM17TP53
SCHEMBL4115717 0.94 CNR2 (0.71) CNR2CNR1PIK3CAADAM17TP53
SCHEMBL1175740 0.92 CNR2 (0.71) CNR2CNR1ADAM17TP53THRB
SCHEMBL1175737 0.92 CNR2 (0.71) CNR2CNR1ADAM17TP53THRB
SCHEMBL4115521 0.91 CNR2 (0.69) CNR2CNR1ADAM17TP53THRB
SCHEMBL4115517 0.91 CNR2 (0.69) CNR2CNR1ADAM17TP53THRB
SCHEMBL1174744 0.90 CNR2 (0.71) CNR2CNR1PIK3CAADAM17
SCHEMBL1174751 0.90 CNR2 (0.71) CNR2CNR1PIK3CAADAM17
SCHEMBL4115721 0.90 CNR2 (0.71) CNR2CNR1ADAM17
SCHEMBL4115713 0.90 CNR2 (0.71) CNR2CNR1ADAM17

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
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
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
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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 1/4885PIK3CA 1365/4885

“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.