SCHEMBL10091090

SCHEMBL10091090

CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CN(C)C(C)C2)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
SLC10A1 Q14973 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP13 P45452 11/20 0.36
HMGCR P04035 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.33
CSGALNACT1 Q8TDX6 1/20 0.33
MMP3 P08254 1/20 0.33
MMP12 P39900 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL10091033 0.91 CNR2 (0.45) CNR2SLC10A1ALDH1A1POLBTDP1
SCHEMBL10091073 0.89 CNR2 (0.56) CNR2MMP13MMP2MMP3MMP8
SCHEMBL10091091 0.87 CNR2 (0.44) CNR2HMGCR
SCHEMBL10091087 0.84 CNR2 (0.49) CNR2HMGCR
SCHEMBL13292579 0.83 CNR2 (0.45) CNR2POLBHMGCR
SCHEMBL10091089 0.83 CNR2 (0.47) CNR2HMGCR
SCHEMBL10091083 0.82 CNR2 (0.39) CNR2HMGCR
SCHEMBL10091088 0.81 CNR2 (0.46) CNR2TDP1
SCHEMBL10090991 0.81 CNR2 (0.46) CNR2MMP13HMGCRMMP2MMP8
SCHEMBL10091057 0.81 POLB (0.47) CNR2SLC10A1POLB

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 2/4885SLC10A1 1074/4885ALDH1A1 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.