SCHEMBL1718933

SCHEMBL1718933

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
TRPV4 Q9HBA0 6/20 0.40
L3MBTL3 Q96JM7 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ADORA2B P29275 1/20 0.40
TACR2 P21452 1/20 0.39
TACR3 P29371 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL29698741 0.89 ACACB (0.44) GRM5ACACBACACATRPV4L3MBTL3
SCHEMBL1719404 0.89 ACACB (0.44) GRM5ACACBACACATRPV4L3MBTL3
SCHEMBL1719953 0.88 CYP2D6 (0.40) L3MBTL3L3MBTL1LMNA
SCHEMBL1719382 0.84 IRAK4 (0.45) ACACBACACATRPV4L3MBTL3L3MBTL1
SCHEMBL1718938 0.84 L3MBTL3 (0.44) ACACBACACATRPV4L3MBTL3L3MBTL1
SCHEMBL1719041 0.83 ACACB (0.43) ACACBACACATRPV4L3MBTL3L3MBTL1
SCHEMBL1719974 0.83 TRPV4 (0.43) ACACBACACATRPV4L3MBTL3L3MBTL1
SCHEMBL1420836 0.83 IRAK4 (0.41) GRM5ACACBACACATRPV4L3MBTL3
SCHEMBL1720182 0.82 MAPT (0.38) ACACBACACAL3MBTL3L3MBTL1LMNA
SCHEMBL1720532 0.81 CYP2C9 (0.49) ACACBACACATRPV4L3MBTL3L3MBTL1

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 GRM5 221/4885ACACB 4413/4885ACACA 4498/4885

“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.