SCHEMBL342576

SCHEMBL342576

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TP53 P04637 5/20 0.39
MAPT P10636 2/20 0.39
RORC P51449 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AVPR1B P47901 1/20 0.36
GRM2 Q14416 5/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTOR P42345 1/20 0.35

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
SCHEMBL343555 0.87 RORC (0.39) THRBTP53RORCLMNANPC1
SCHEMBL10091016 0.86 TP53 (0.40) THRBTP53LMNAGRM2
SCHEMBL10091003 0.80 CNR2 (0.39) THRBTP53LMNANPC1RAB9A
SCHEMBL342270 0.80 CNR2 (0.56) THRBTP53LMNA
SCHEMBL10091005 0.80 CNR2 (0.47) THRBTP53LMNAAVPR1B
SCHEMBL10091009 0.80 CNR2 (0.43) TP53LMNAALDH1A1
SCHEMBL342271 0.80 CNR2 (0.56) THRBTP53LMNA
SCHEMBL10091074 0.79 GRM2 (0.42) LMNAGRM2
SCHEMBL10091004 0.79 CNR2 (0.47) THRBTP53LMNA
SCHEMBL10091010 0.79 CNR2 (0.47) THRBTP53LMNAGRM2

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 3 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-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 THRB 1101/4885TP53 4265/4885MAPT 2962/4885

“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.