SCHEMBL10091077

SCHEMBL10091077

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNK3 O14649 7/20 0.38
SLC10A1 Q14973 1/20 0.38
MMP13 P45452 3/20 0.38
GRM2 Q14416 2/20 0.36

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
SCHEMBL10091009 0.95 CNR2 (0.43) CNR2HSP90AA1ALDH1A1POLBTDP1
SCHEMBL13292580 0.92 GRM2 (0.44) CNR2HSP90AA1SLC10A1GRM2
SCHEMBL10091052 0.89 CNR2 (0.53) CNR2KCNK3MMP13GRM2
SCHEMBL10091075 0.87 CNR2 (0.45) CNR2KCNK3GRM2
SCHEMBL10091057 0.85 POLB (0.47) CNR2POLBSLC10A1
SCHEMBL10091071 0.85 CNR2 (0.46) CNR2KCNK3GRM2
SCHEMBL10090957 0.85 POLB (0.49) CNR2POLBSLC10A1
SCHEMBL342271 0.84 CNR2 (0.56) CNR2POLBMMP13
SCHEMBL342270 0.84 CNR2 (0.56) CNR2POLBMMP13
SCHEMBL10091068 0.83 CNR2 (0.44) CNR2KCNK3GRM2

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 2/4885HSP90AA1 4139/4885ALDH1A1 2862/4885

“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.