SCHEMBL1584150

SCHEMBL1584150

N#CCC1CCCN1c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.39
FFAR1 O14842 10/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
AR P10275 1/20 0.35
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PPARG P37231 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1584151 1.00 NMT1 (0.39) NMT1FFAR1HRH3CHRNB2CHRNA7
SCHEMBL27037984 0.90 HRH3 (0.42) NMT1FFAR1HRH3DPP4FAP
SCHEMBL1584388 0.84 FFAR1 (0.41) NMT1FFAR1PPARG
SCHEMBL1584386 0.84 FFAR1 (0.41) NMT1FFAR1PPARG
SCHEMBL12707818 0.84 FFAR1 (0.46) NMT1FFAR1ARPPARG
SCHEMBL1604449 0.80 FFAR1 (0.51) FFAR1HRH3PPARG
SCHEMBL1604447 0.80 FFAR1 (0.51) FFAR1HRH3PPARG
SCHEMBL1584659 0.80 FFAR1 (0.44) FFAR1PPARG
SCHEMBL1584660 0.80 FFAR1 (0.44) FFAR1PPARG
SCHEMBL1584832 0.80 FFAR1 (0.43) NMT1FFAR1CHRNB2ARPPARG

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 5 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
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 NMT1 1491/4885FFAR1 37/4885HRH3 508/4885

“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.