SCHEMBL1584587

SCHEMBL1584587

OC[C@@H]1CCCN1c1ccnc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 1/20 0.40
CUL4A Q13619 1/20 0.40
RECQL P46063 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38
CYP17A1 P05093 2/20 0.38
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ACVR1 Q04771 1/20 0.38
CDK1 P06493 3/20 0.37
PRKCA P17252 1/20 0.37
PDE10A Q9Y233 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL1584585 1.00 MKNK1 (0.44) MKNK1MKNK2ADORA2AADORA1ADORA3
SCHEMBL1584371 0.82 PREP (0.39) PROKR1CYP17A1FFAR1
SCHEMBL1584373 0.82 PREP (0.39) PROKR1CYP17A1FFAR1
SCHEMBL2940630 0.75 FFAR1 (0.40) CUL4ACCNE2CDK4CCND1CCNE1
SCHEMBL21135481 0.75 FFAR1 (0.58) ADORA2AADORA1ADORA3CUL4ACCNE2
SCHEMBL21135457 0.75 FFAR1 (0.58) ADORA2AADORA1ADORA3CUL4ACCNE2
SCHEMBL18013368 0.74 FFAR1 (0.42) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL3182216 0.74 OPRK1 (0.45) CUL4ACDK1FFAR1
SCHEMBL3179281 0.72 L3MBTL1 (0.53) CUL4ACDK1PRKCAFFAR1SPHK2
SCHEMBL21856026 0.72 CUL4A (0.44) MKNK1MKNK2ADORA2AADORA1ADORA3

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 MKNK1 2559/4885MKNK2 2471/4885ADORA2A 450/4885

“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.