SCHEMBL10091091

SCHEMBL10091091

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.44
CTSK P43235 5/20 0.38
CNR1 P21554 2/20 0.37
HMGCR P04035 1/20 0.36
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
CTSL P07711 4/20 0.33
CTSS P25774 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSB P07858 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
SCHEMBL10091032 0.92 CNR2 (0.43) CNR2CTSKCNR1HMGCRCTSL
SCHEMBL10091090 0.87 CNR2 (0.42) CNR2HMGCR
SCHEMBL1174532 0.86 CNR2 (0.51) CNR2CTSKCNR1HMGCRCTSL
SCHEMBL1174537 0.86 CNR2 (0.51) CNR2CTSKCNR1HMGCRCTSL
SCHEMBL1175353 0.85 CNR2 (0.59) CNR2CTSKCNR1HMGCRCTSL
SCHEMBL1175356 0.85 CNR2 (0.59) CNR2CTSKCNR1HMGCRCTSL
SCHEMBL10091073 0.85 CNR2 (0.56) CNR2CNR1
SCHEMBL10091058 0.82 GAA (0.48) CNR2
SCHEMBL10090961 0.81 GAA (0.49) CNR2
SCHEMBL10091087 0.81 CNR2 (0.49) CNR2CNR1HMGCR

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 2/4885CTSK 1745/4885CNR1 1/4885

“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.