SCHEMBL10091038

SCHEMBL10091038

CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(Cl)cc2F)n2c1CCCC2)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.54
POLB P06746 1/20 0.45
THRB P10828 4/20 0.45
TP53 P04637 4/20 0.45
LMNA P02545 5/20 0.44
CNR1 P21554 3/20 0.43
GAA P10253 1/20 0.39

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
SCHEMBL10090967 0.99 CNR2 (0.54) CNR2POLBTHRBTP53LMNA
SCHEMBL1174631 0.90 CNR2 (0.69) CNR2POLBTHRBTP53LMNA
SCHEMBL1174629 0.90 CNR2 (0.69) CNR2POLBTHRBTP53LMNA
SCHEMBL10090999 0.89 CNR2 (0.48) CNR2POLBTHRBTP53CNR1
SCHEMBL342732 0.88 CNR2 (0.51) CNR2POLBTHRBTP53LMNA
SCHEMBL1174910 0.88 CNR2 (0.51) CNR2POLBTHRBTP53LMNA
SCHEMBL342733 0.88 CNR2 (0.51) CNR2POLBTHRBTP53LMNA
SCHEMBL1174908 0.88 CNR2 (0.51) CNR2POLBTHRBTP53LMNA
SCHEMBL15234229 0.88 CNR2 (0.58) CNR2POLBTHRBTP53CNR1
SCHEMBL10091040 0.88 CNR2 (0.56) CNR2POLBTHRBTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 WO 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CNR2 2/4885POLB 2914/4885THRB 1101/4885

“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.