SCHEMBL1583948

SCHEMBL1583948

N#CC[C@@H]1CCCN1c1ccc(Cc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
FFAR1 O14842 5/20 0.47
LTA4H P09960 1/20 0.45
KCNH2 Q12809 2/20 0.44
MCHR1 Q99705 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SPHK2 Q9NRA0 3/20 0.43
SPHK1 Q9NYA1 2/20 0.43
PPARG P37231 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
SCHEMBL1583947 1.00 HRH3 (0.47) HRH3FFAR1LTA4HKCNH2MCHR1
SCHEMBL1584267 0.95 FFAR1 (0.50) HRH3FFAR1LTA4HKCNH2MCHR1
SCHEMBL1584264 0.95 FFAR1 (0.50) HRH3FFAR1LTA4HKCNH2MCHR1
SCHEMBL1583984 0.89 FFAR1 (0.50) HRH3FFAR1LTA4HPPARG
SCHEMBL1583982 0.89 FFAR1 (0.50) HRH3FFAR1LTA4HPPARG
SCHEMBL1585072 0.86 FFAR1 (0.48) FFAR1KCNH2MCHR1MAOBNPC1
SCHEMBL1585074 0.86 FFAR1 (0.48) FFAR1KCNH2MCHR1MAOBNPC1
SCHEMBL1584419 0.84 SPHK2 (0.52) KCNH2MCHR1SPHK2SPHK1
SCHEMBL1584417 0.84 SPHK2 (0.52) KCNH2MCHR1SPHK2SPHK1
SCHEMBL1584432 0.82 FFAR1 (0.69) HRH3FFAR1PPARG

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 HRH3 508/4885FFAR1 37/4885LTA4H 996/4885

“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.