SCHEMBL10091066

SCHEMBL10091066

CC(C)(C)[C@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2)C(=O)N1CCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.45
KCNK3 O14649 9/20 0.39
STAT6 P42226 1/20 0.37
GRM2 Q14416 6/20 0.36
LMNA P02545 1/20 0.34

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
SCHEMBL10091004 0.96 CNR2 (0.47) CNR2KCNK3STAT6LMNA
SCHEMBL10090988 0.92 CNR2 (0.45) CNR2STAT6GRM2LMNA
SCHEMBL10091071 0.90 CNR2 (0.46) CNR2KCNK3GRM2
SCHEMBL10091052 0.90 CNR2 (0.53) CNR2KCNK3GRM2
SCHEMBL10091068 0.89 CNR2 (0.44) CNR2KCNK3GRM2
SCHEMBL10091070 0.87 CNR2 (0.43) CNR2KCNK3GRM2LMNA
SCHEMBL10091062 0.87 CNR2 (0.40) CNR2KCNK3GRM2
SCHEMBL10091043 0.87 CNR2 (0.49) CNR2LMNA
SCHEMBL4126659 0.87 CNR2 (0.59) CNR2STAT6GRM2LMNA
SCHEMBL4126662 0.87 CNR2 (0.59) CNR2STAT6GRM2LMNA

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-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

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 2/4885KCNK3 1442/4885STAT6 1021/4885

“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.