SCHEMBL10091067

SCHEMBL10091067

CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(Cl)cc2F)n2c1COCC2)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.49
CNR1 P21554 9/20 0.42
KCNK3 O14649 2/20 0.35
MAP3K14 Q99558 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL342732 0.95 CNR2 (0.51) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL342733 0.95 CNR2 (0.51) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL10090999 0.92 CNR2 (0.48) CNR2CNR1
SCHEMBL10091061 0.89 CNR2 (0.50) CNR2CNR1KCNK3MAP3K14
SCHEMBL10091054 0.88 CNR2 (0.50) CNR2CNR1KCNK3
SCHEMBL10091403 0.86 CNR2 (0.53) CNR2CNR1MAP3K14
SCHEMBL1174769 0.86 CNR2 (0.61) CNR2CNR1
SCHEMBL1174772 0.86 CNR2 (0.61) CNR2CNR1
SCHEMBL10091038 0.86 CNR2 (0.54) CNR2CNR1
SCHEMBL10090967 0.85 CNR2 (0.54) CNR2CNR1

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 2/4885CNR1 1/4885KCNK3 1442/4885

“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.