SCHEMBL263302

SCHEMBL263302

CC(C)(c1ccc2cc(C(=O)NCc3ccnc4c(F)cc(F)cc34)ccc2n1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
KLKB1 P03952 5/20 0.36
MAP4K1 Q92918 4/20 0.36
DDR1 Q08345 4/20 0.36
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
MAPK14 Q16539 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BTK Q06187 1/20 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
SCHEMBL263771 0.88 EGLN1 (0.40) EGLN1ADORA2AADORA1KLKB1DDR1
SCHEMBL263858 0.84 SMN1; SMN2 (0.43) EGLN1ADORA2AADORA1DDR1LMNA
SCHEMBL264386 0.84 SMN1; SMN2 (0.39) EGLN1ADORA2AADORA1KLKB1DDR1
SCHEMBL264812 0.83 TRPV1 (0.39) EGLN1KLKB1MAP4K1DDR1LMNA
SCHEMBL265347 0.77 NAMPT (0.43) ROCK2
SCHEMBL263695 0.75 SMN1; SMN2 (0.57) LMNAHTTSMN1; SMN2
SCHEMBL1840774 0.73 ROCK2 (0.45) KLKB1ROCK2LMNAHTTSMN1; SMN2
SCHEMBL2008896 0.73 TP53 (0.38) DDR1EPHX2LMNA
SCHEMBL1840633 0.72 HPGD (0.41) KLKB1EPHX2ROCK2LMNAHTT
SCHEMBL264842 0.70 NAMPT (0.43) ROCK2

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 EGLN1 1278/4885ADORA2A 194/4885ADORA1 105/4885

“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.