SCHEMBL1606000

SCHEMBL1606000

O=C(O)CCC(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.58
HTT P42858 1/20 0.54
FOLH1 Q04609 4/20 0.52
SYK P43405 1/20 0.49
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
CASP1 P29466 3/20 0.48
ATM Q13315 1/20 0.48
CTSK P43235 2/20 0.46
TACR1 P25103 2/20 0.46

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
SCHEMBL1605999 1.00 CTRB1 (0.58) CTRB1HTTFOLH1SYKMME
SCHEMBL5198016 1.00 CTRB1 (0.58) CTRB1HTTFOLH1SYKMME
SCHEMBL116393 0.89 CTRB1 (0.56) CTRB1SYKATMCTSK
SCHEMBL27577300 0.89 CTRB1 (0.58) CTRB1HTTFOLH1SYKMME
SCHEMBL1570467 0.88 CTRB1 (0.61) CTRB1SYKATMCTSKTACR1
SCHEMBL15664942 0.88 CTRB1 (0.61) CTRB1SYKATMCTSKTACR1
SCHEMBL1570465 0.88 CTRB1 (0.61) CTRB1SYKATMCTSKTACR1
SCHEMBL4829896 0.88 CTRB1 (0.68) CTRB1SYKATMCTSKTACR1
SCHEMBL6428794 0.88 CTRB1 (0.54) CTRB1SYKCASP1ATMCTSK
SCHEMBL6428792 0.88 CTRB1 (0.54) CTRB1SYKCASP1ATMCTSK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574858-B Bicyclic heterocycles and their use as CCR2 receptor antagonists HOFFMANN LA ROCHE 2015-06-24 CN disclosed
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
EP-2486042-B1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-01-22 EP disclosed
US-8471004-B2 Bicyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US disclosed
EP-2486042-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-15 EP disclosed
CN-102574858-A Bicyclic heterocycles and their use as CCR2 receptor antagonists HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011042399-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-14 WO disclosed
US-20110082294-A1 NOVEL BICYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 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-20110082294-A1 NOVEL BICYCLIC COMPOUNDS CCR2, CCR3, CCR1 CTRB1 1520/4885HTT 4647/4885FOLH1 1127/4885

“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.