SCHEMBL1604299

SCHEMBL1604299

COC(=O)CC1CCCN1c1ccc(Oc2cccc(Br)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.63
PPARG P37231 2/20 0.51
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1604300 1.00 FFAR1 (0.63) FFAR1PPARGKDM4E
SCHEMBL12708078 0.89 FFAR1 (0.66) FFAR1PPARGKDM4E
SCHEMBL1584219 0.88 FFAR1 (0.78) FFAR1PPARG
SCHEMBL1604960 0.88 FFAR1 (0.78) FFAR1PPARG
SCHEMBL1604223 0.82 FFAR1 (0.56) FFAR1PPARG
SCHEMBL1604431 0.82 FFAR1 (0.59) FFAR1PPARG
SCHEMBL1604221 0.82 FFAR1 (0.56) FFAR1PPARG
SCHEMBL1604433 0.82 FFAR1 (0.59) FFAR1PPARG
SCHEMBL1604336 0.80 FFAR1 (0.62) FFAR1PPARG
SCHEMBL1604334 0.80 FFAR1 (0.62) FFAR1PPARG

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 37/4885PPARG 69/4885KDM4E 2255/4885

“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.