SCHEMBL1584728

SCHEMBL1584728

O=C(O)CC1CCCN1c1ncc(OCc2ccc(Cl)cc2Cl)cn1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.79
PPARG P37231 1/20 0.75
NR4A2 P43354 2/20 0.46
S1PR1 P21453 1/20 0.45
LTK P29376 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
S1PR5 Q9H228 1/20 0.45
ALKBH1 Q13686 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
MET P08581 1/20 0.43
CCR4 P51679 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1584735 1.00 FFAR1 (0.79) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL12708157 0.90 FFAR1 (0.65) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL1584664 0.89 FFAR1 (0.64) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL1584667 0.89 FFAR1 (0.64) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL1584485 0.86 FFAR1 (1.00) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL1604202 0.86 FFAR1 (1.00) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL15789668 0.82 FFAR1 (0.57) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL15789670 0.82 FFAR1 (0.57) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL12708019 0.77 FFAR1 (0.83) FFAR1PPARGNR4A2S1PR1LTK
SCHEMBL1584330 0.73 FFAR1 (0.66) FFAR1PPARGNR4A2

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
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
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
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO 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 69/4885NR4A2 158/4885

“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.