SCHEMBL10091032

SCHEMBL10091032

CNC(=O)[C@H](CC(C)C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CN(C)C(C)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
CNR1 P21554 2/20 0.38
CTSK P43235 3/20 0.37
MCHR1 Q99705 1/20 0.34
HMGCR P04035 1/20 0.34
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM3 P20309 1/20 0.32

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
SCHEMBL10091091 0.92 CNR2 (0.44) CNR2CNR1CTSKHMGCRCTSL
SCHEMBL1174537 0.88 CNR2 (0.51) CNR2CNR1CTSKHMGCRCTSL
SCHEMBL1174532 0.88 CNR2 (0.51) CNR2CNR1CTSKHMGCRCTSL
SCHEMBL10091033 0.88 CNR2 (0.45) CNR2
SCHEMBL1175356 0.87 CNR2 (0.59) CNR2CNR1CTSKHMGCRCTSL
SCHEMBL1175353 0.87 CNR2 (0.59) CNR2CNR1CTSKHMGCRCTSL
SCHEMBL10091015 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL342663 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL342662 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL10091058 0.84 GAA (0.48) CNR2TP53THRB

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 1/4885CTSK 1745/4885

“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.