SCHEMBL1585072

SCHEMBL1585072

N#CCC1CCCN1c1ccc(Cc2ccc(OCc3ccccc3F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.48
SCN3A Q9NY46 2/20 0.47
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
MAOB P27338 3/20 0.44
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
KCNH2 Q12809 3/20 0.40
MCHR1 Q99705 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL1585074 1.00 FFAR1 (0.48) FFAR1SCN3ASPHK2SPHK1MAOB
SCHEMBL1583948 0.86 HRH3 (0.47) FFAR1SPHK2SPHK1MAOBNPC1
SCHEMBL1583947 0.86 HRH3 (0.47) FFAR1SPHK2SPHK1MAOBNPC1
SCHEMBL1584122 0.83 FFAR1 (0.70) FFAR1SCN3APPARG
SCHEMBL1584119 0.83 FFAR1 (0.70) FFAR1SCN3APPARG
SCHEMBL1584267 0.82 FFAR1 (0.50) FFAR1SPHK2SPHK1MAOBNPC1
SCHEMBL1584264 0.82 FFAR1 (0.50) FFAR1SPHK2SPHK1MAOBNPC1
SCHEMBL1583984 0.80 FFAR1 (0.50) FFAR1PPARG
SCHEMBL1583982 0.80 FFAR1 (0.50) FFAR1PPARG
SCHEMBL1584410 0.80 FFAR1 (0.41) 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 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 FFAR1 37/4885SCN3A 1781/4885SPHK2 652/4885

“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.