SCHEMBL1604775

SCHEMBL1604775

COC(=O)[C@H](C)N(CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
CTSK P43235 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
ALOX15 P16050 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
SCHEMBL1604777 1.00 ABCB1 (0.45) ABCB1ALDH1A1MAPTHPGDCTSK
SCHEMBL1554918 0.89 ABCB1 (0.44) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL1554922 0.89 ABCB1 (0.44) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL4708700 0.87 ABCB1 (0.42) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL1604896 0.85 ALDH1A1 (0.47) ABCB1ALDH1A1MAPTHPGDCTSK
SCHEMBL1604900 0.85 ALDH1A1 (0.47) ABCB1ALDH1A1MAPTHPGDCTSK
SCHEMBL26293087 0.84 ABCB1 (0.42) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL1555518 0.84 ABCB1 (0.44) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL1554868 0.84 ABCB1 (0.44) ABCB1ALDH1A1MAPTHPGDL3MBTL1
SCHEMBL1554872 0.84 ABCB1 (0.44) ABCB1ALDH1A1MAPTHPGDL3MBTL1

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-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
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 ABCB1 189/4885ALDH1A1 1491/4885MAPT 4539/4885

“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.