SCHEMBL10091074

SCHEMBL10091074

CC(C)(C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.42
CSNK1E P49674 1/20 0.39
KCNK3 O14649 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
LMNA P02545 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL10091016 0.94 TP53 (0.40) GRM2CSNK1EPOLBLMNA
SCHEMBL10090994 0.91 GRM2 (0.50) GRM2
SCHEMBL10091068 0.88 CNR2 (0.44) GRM2CSNK1EKCNK3CNR2
SCHEMBL10091060 0.84 GRM2 (0.38) GRM2KCNK3LMNACNR2
SCHEMBL10091055 0.83 GAA (0.52) POLBLMNA
SCHEMBL10091052 0.83 CNR2 (0.53) GRM2KCNK3CNR2
SCHEMBL10091010 0.83 CNR2 (0.47) GRM2CSNK1EKCNK3POLBLMNA
SCHEMBL10091062 0.82 CNR2 (0.40) GRM2KCNK3CNR2
SCHEMBL10091071 0.82 CNR2 (0.46) GRM2KCNK3CNR2
SCHEMBL10090958 0.82 GAA (0.54) POLBLMNA

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 GRM2 564/4885CSNK1E 184/4885KCNK3 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.