SCHEMBL343393

SCHEMBL343393

CNC(=O)[C@@H](NC(=O)c1nc(-c2cc(F)ccc2F)n2c1CCCCC2)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.55
CNR1 P21554 3/20 0.47
TP53 P04637 8/20 0.46
THRB P10828 4/20 0.46
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
BLM P54132 1/20 0.42
LMNA P02545 3/20 0.41

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
SCHEMBL343394 1.00 CNR2 (0.55) CNR2CNR1TP53THRBPOLB
SCHEMBL10091039 0.99 CNR2 (0.56) CNR2CNR1TP53THRBPOLB
SCHEMBL13292818 0.92 CNR2 (0.56) CNR2CNR1TP53THRBPOLB
SCHEMBL343536 0.90 CNR2 (0.46) CNR2TP53THRBPOLBGAA
SCHEMBL343537 0.90 CNR2 (0.46) CNR2TP53THRBPOLBGAA
SCHEMBL10090984 0.90 CNR2 (0.55) CNR2CNR1TP53THRBPOLB
SCHEMBL10091040 0.89 CNR2 (0.56) CNR2CNR1TP53THRBPOLB
SCHEMBL1175740 0.89 CNR2 (0.71) CNR2CNR1TP53THRB
SCHEMBL1175737 0.89 CNR2 (0.71) CNR2CNR1TP53THRB
SCHEMBL13292815 0.88 CNR2 (0.54) CNR2CNR1TP53THRBPOLB

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 6 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
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 2/4885CNR1 1/4885TP53 4265/4885

“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.