SCHEMBL262974

SCHEMBL262974

CC(NC(=O)c1ccc2nc(C(C)(C)C(F)(F)F)ccc2c1)c1ccc2[nH]ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.43
ANPEP P15144 1/20 0.43
ROCK1 Q13464 6/20 0.41
AKT1 P31749 1/20 0.41
MAOB P27338 2/20 0.38
B3GNT2 Q9NY97 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL264324 0.84 PDE2A (0.41) B3GNT2PDE2A
SCHEMBL1839109 0.82 ROCK2 (0.35) ROCK2ROCK1PDE2A
SCHEMBL263827 0.80 NR1H4 (0.48) ROCK2ANPEPROCK1AKT1MAOB
SCHEMBL265195 0.80 SMYD3 (0.42) ANPEPAKT1PDE2A
SCHEMBL1644118 0.78 RORC (0.36) PDE2A
SCHEMBL1285387 0.77 TRPV1 (0.39) PDE2A
SCHEMBL269222 0.76 MAPK1 (0.41) ROCK2ROCK1B3GNT2
SCHEMBL1841089 0.75 BRPF1 (0.41) ROCK2ROCK1AKT1B3GNT2
SCHEMBL1839081 0.75 BRPF1 (0.41) ROCK2ROCK1AKT1B3GNT2
SCHEMBL1840878 0.75 BRPF1 (0.41) ROCK2ROCK1AKT1B3GNT2

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US claimed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US claimed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 ROCK2 4650/4885ANPEP 1226/4885ROCK1 3716/4885

“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.