SCHEMBL343555

SCHEMBL343555

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
TP53 P04637 4/20 0.37
THRB P10828 3/20 0.37
LMNA P02545 3/20 0.37
GRM2 Q14416 3/20 0.36
GAA P10253 1/20 0.36
KMO O15229 2/20 0.36
GRIN2B Q13224 1/20 0.35
MCL1 Q07820 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 2/20 0.34

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
SCHEMBL342576 0.87 THRB (0.40) RORCTP53THRBLMNAGRM2
SCHEMBL10091016 0.85 TP53 (0.40) TP53THRBLMNAGRM2GAA
SCHEMBL342551 0.83 RORC (0.53) RORCTP53THRBLMNAGAA
SCHEMBL344444 0.83 MCL1 (0.38) RORCTP53THRBGRM2GRIN2B
SCHEMBL343506 0.83 GRM2 (0.51) GRM2
SCHEMBL342852 0.82 GAA (0.54) RORCTP53THRBLMNAGAA
SCHEMBL343212 0.81 PDE4A (0.42) RORCTP53THRBLMNAGRM2
SCHEMBL10091003 0.80 CNR2 (0.39) TP53THRBLMNAGRM2GAA
SCHEMBL342271 0.79 CNR2 (0.56) TP53THRBLMNA
SCHEMBL10091005 0.79 CNR2 (0.47) TP53THRBLMNA

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 8 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-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
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 RORC 73/4885TP53 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.