SCHEMBL1604227

SCHEMBL1604227

COc1ccc(F)c(-c2cccc(Oc3ccc(N4CCCC4CC#N)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.53
NAAA Q02083 2/20 0.44
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 2/20 0.37
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL1604225 1.00 FFAR1 (0.53) FFAR1NAAAPDCD1CD274CHRNB4
SCHEMBL1604998 0.85 FFAR1 (0.73) FFAR1
SCHEMBL1605000 0.85 FFAR1 (0.73) FFAR1
SCHEMBL1585387 0.84 FFAR1 (0.74) FFAR1CHRNB4CHRNA3
SCHEMBL1604336 0.84 FFAR1 (0.62) FFAR1
SCHEMBL1604334 0.84 FFAR1 (0.62) FFAR1
SCHEMBL1585384 0.84 FFAR1 (0.74) FFAR1CHRNB4CHRNA3
SCHEMBL12707992 0.78 FFAR1 (0.64) FFAR1
SCHEMBL1604449 0.77 FFAR1 (0.51) FFAR1
SCHEMBL1604447 0.77 FFAR1 (0.51) FFAR1

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
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 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-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 FFAR1 37/4885NAAA 3658/4885PDCD1 2417/4885

“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.