SCHEMBL264576

SCHEMBL264576

C[C@@H](NC(=O)c1ccc2cc(C(C)(O)C(F)(F)F)ccc2c1)c1ccnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
HDAC3 O15379 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TRPM8 Q7Z2W7 5/20 0.37
PDE2A O00408 2/20 0.36
GAA P10253 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL264373 0.88 PPARG (0.46) PPARGMEN1KMT2ALMNATRPV1
SCHEMBL264363 0.82 PPARG (0.46) PPARGMEN1KMT2ALMNATRPV1
SCHEMBL262685 0.82 PPARG (0.46) PPARGMEN1KMT2ALMNATRPV1
SCHEMBL14147967 0.80 PPARG (0.44) PPARGTRPM8PDE2A
SCHEMBL264499 0.79 HPGDS (0.44) PPARGMEN1KMT2ALMNATRPV1
SCHEMBL269287 0.76 PPARG (0.41) PPARGMEN1KMT2ALMNATRPV1
SCHEMBL265197 0.76 PPARG (0.41) PPARGMEN1KMT2ALMNATRPV1
SCHEMBL2008903 0.75 BRPF1 (0.51) PPARGMEN1KMT2ACYP17A1CYP3A4
SCHEMBL1841666 0.75 BRPF1 (0.51) PPARGMEN1KMT2ACYP17A1CYP3A4
SCHEMBL1839524 0.75 BRPF1 (0.51) PPARGMEN1KMT2ACYP17A1CYP3A4

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 PPARG 771/4885MEN1 4051/4885KMT2A 4132/4885

“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.