SCHEMBL265195

SCHEMBL265195

CC(NC(=O)c1ccc2nc(C(C)(C)C(F)(F)F)ccc2c1)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 14/20 0.42
ANPEP P15144 1/20 0.42
AKT1 P31749 1/20 0.39
PDE2A O00408 3/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 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
SCHEMBL264194 0.91 SMYD3 (0.44) SMYD3ANPEPAKT1MEN1KMT2A
SCHEMBL264024 0.81 SMYD3 (0.49) SMYD3ANPEPAKT1PDE2AMEN1
SCHEMBL264324 0.80 PDE2A (0.41) SMYD3PDE2AKMT2A
SCHEMBL262974 0.80 ROCK2 (0.43) ANPEPAKT1PDE2A
SCHEMBL1644118 0.76 RORC (0.36) PDE2AMEN1KMT2A
SCHEMBL1285387 0.75 TRPV1 (0.39) PDE2A
SCHEMBL1839109 0.75 ROCK2 (0.35) PDE2A
SCHEMBL25313196 0.74 ANPEP (0.57) SMYD3ANPEPAKT1MEN1HTT
SCHEMBL25313198 0.74 ANPEP (0.57) SMYD3ANPEPAKT1MEN1HTT
SCHEMBL15353608 0.73 GSK3B (0.42) MEN1KMT2A

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 6 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 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 SMYD3 4509/4885ANPEP 1226/4885AKT1 2252/4885

“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.