SCHEMBL15739231

SCHEMBL15739231

CCCCOc1cc(N2C[C@H](OC)[C@@H](C)[C@@H]2CC(=O)O)cnc1OC1CCN(c2cc(OC)ncc2Cl)CC1C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 20/20 0.74
▸ CYP3A4 P08684 2/20 0.67
▸ CYP2C8 P10632 2/20 0.67
▸ CYP2D6 P10635 2/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ CYP2B6 P20813 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ MAOB P27338 1/20 0.54
▸ FFAR4 Q5NUL3 1/20 0.54

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
SCHEMBL17249855 0.95 FFAR1 (0.81) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL19154643 0.95 FFAR1 (0.71) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL17239704 0.93 FFAR1 (0.79) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL20043116 0.92 FFAR1 (0.74) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL18102015 0.90 FFAR1 (0.64) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL18104555 0.89 FFAR1 (0.68) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL17249853 0.89 FFAR1 (0.81) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL15739203 0.88 FFAR1 (0.67) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL15719114 0.88 FFAR1 (0.67) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL17249854 0.88 FFAR1 (0.81) FFAR1CYP3A4CYP2C8CYP2D6CYP2C9

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-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 — — US disclosed
US-9714231-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-25 — — US disclosed
EP-2925741-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 — — EP disclosed
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 — — US disclosed
US-20160280680-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 — — US disclosed
WO-2014078609-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 — — WO 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-20160280680-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 FFAR1 37/4885CYP3A4 1608/4885CYP2C8 2433/4885

“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.

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