SCHEMBL10091016

SCHEMBL10091016

CC(C)(C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCCC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.40
LMNA P02545 3/20 0.40
CSNK1E P49674 1/20 0.38
THRB P10828 5/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.37
GRM2 Q14416 2/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL10091074 0.94 GRM2 (0.42) LMNACSNK1EPOLBGRM2
SCHEMBL10091010 0.88 CNR2 (0.47) TP53LMNACSNK1ETHRBPOLB
SCHEMBL342576 0.86 THRB (0.40) TP53LMNATHRBGRM2
SCHEMBL10091055 0.85 GAA (0.52) TP53LMNATHRBPOLBGAA
SCHEMBL343555 0.85 RORC (0.39) TP53LMNATHRBGAAGRM2
SCHEMBL10090994 0.85 GRM2 (0.50) GRM2
SCHEMBL10090958 0.85 GAA (0.54) TP53LMNATHRBPOLBGAA
SCHEMBL10091003 0.84 CNR2 (0.39) TP53LMNATHRBPOLBGAA
SCHEMBL10091005 0.84 CNR2 (0.47) TP53LMNATHRBPOLB
SCHEMBL342271 0.84 CNR2 (0.56) TP53LMNATHRBPOLB

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 TP53 4265/4885LMNA 4601/4885CSNK1E 184/4885

“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.