SCHEMBL10091057

SCHEMBL10091057

CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CCCC2)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TP53 P04637 9/20 0.47
THRB P10828 6/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 3/20 0.46
SLC10A1 Q14973 1/20 0.46
GAA P10253 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL10090957 0.99 POLB (0.49) POLBTP53THRBCNR2LMNA
SCHEMBL343380 0.89 CNR2 (0.59) POLBTP53THRBCNR2LMNA
SCHEMBL343379 0.89 CNR2 (0.59) POLBTP53THRBCNR2LMNA
SCHEMBL13292580 0.88 GRM2 (0.44) CNR2SLC10A1
SCHEMBL342841 0.88 CNR2 (0.58) POLBTP53THRBCNR2LMNA
SCHEMBL342842 0.88 CNR2 (0.58) POLBTP53THRBCNR2LMNA
SCHEMBL10091009 0.88 CNR2 (0.43) POLBTP53CNR2LMNASLC10A1
SCHEMBL10091058 0.86 GAA (0.48) POLBTP53THRBCNR2LMNA
SCHEMBL10090961 0.86 GAA (0.49) POLBTP53THRBCNR2LMNA
SCHEMBL10091077 0.85 CNR2 (0.41) POLBCNR2SLC10A1

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 POLB 2914/4885TP53 4265/4885THRB 1101/4885

“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.