SCHEMBL1584419

SCHEMBL1584419

N#CC[C@@H]1CCCN1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 11/20 0.52
SPHK1 Q9NYA1 10/20 0.52
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
GRM5 P41594 1/20 0.43
ALOX5 P09917 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
SCHEMBL1584417 1.00 SPHK2 (0.52) SPHK2SPHK1KCNH2MCHR1KDM2B
SCHEMBL1584264 0.88 FFAR1 (0.50) SPHK2SPHK1KCNH2MCHR1
SCHEMBL1584267 0.88 FFAR1 (0.50) SPHK2SPHK1KCNH2MCHR1
SCHEMBL1585051 0.84 SPHK2 (0.53) SPHK2SPHK1MCHR1
SCHEMBL1585049 0.84 SPHK2 (0.53) SPHK2SPHK1MCHR1
SCHEMBL1584250 0.84 SPHK2 (0.67) SPHK2SPHK1
SCHEMBL1584249 0.84 SPHK2 (0.67) SPHK2SPHK1
SCHEMBL1583947 0.84 HRH3 (0.47) SPHK2SPHK1KCNH2MCHR1
SCHEMBL1583948 0.84 HRH3 (0.47) SPHK2SPHK1KCNH2MCHR1
SCHEMBL12707818 0.81 FFAR1 (0.46)

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 SPHK2 652/4885SPHK1 530/4885KCNH2 1673/4885

“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.