SCHEMBL1719953

SCHEMBL1719953

Cn1c(-c2cccc(OC(F)(F)F)c2)nc(C#C[Si](C)(C)C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCKAR P32238 1/20 0.39
L3MBTL3 Q96JM7 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MCHR1 Q99705 1/20 0.38
SLC6A7 Q99884 1/20 0.38
HSD11B1 P28845 1/20 0.37
MGLL Q99685 1/20 0.37
PIM1 P11309 2/20 0.37
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL1719324 0.90 CYP2D6 (0.42) CYP2D6CYP2C19NPSR1CCKARL3MBTL3
SCHEMBL1719218 0.90 CYP2D6 (0.41) CYP2D6CYP2C19NPSR1CCKARL3MBTL3
SCHEMBL29698740 0.90 CYP2D6 (0.41) CYP2D6CYP2C19NPSR1CCKARL3MBTL3
SCHEMBL1718933 0.88 GRM5 (0.41) L3MBTL3L3MBTL1LMNA
SCHEMBL12662445 0.87 CYP2D6 (0.44) CYP2D6CYP2C19NPSR1CCKARL3MBTL3
SCHEMBL1720828 0.86 L3MBTL3 (0.44) CYP2D6CYP2C19NPSR1CCKARL3MBTL3
SCHEMBL1719083 0.85 CYP2D6 (0.43) CYP2D6CYP2C19NPSR1CCKARL3MBTL3
SCHEMBL1719043 0.84 CYP2D6 (0.44) CYP2D6CYP2C19NPSR1CCKARL3MBTL3
SCHEMBL1719730 0.84 CYP2D6 (0.44) CYP2D6CYP2C19NPSR1CCKARL3MBTL3
SCHEMBL1719055 0.83 CYP2D6 (0.40) CYP2D6CYP2C19NPSR1CCKARL3MBTL3

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-101687844-B Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2013-11-13 CN disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2173735-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US disclosed
WO-2009003861-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 CYP2D6 583/4885CYP2C19 794/4885NPSR1 334/4885

“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.