SCHEMBL1720293

SCHEMBL1720293

Cn1c(-c2ccc(OC(F)(F)F)cc2)nc(I)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.42
L3MBTL1 Q9Y468 9/20 0.42
MCHR1 Q99705 2/20 0.41
MCHR2 Q969V1 1/20 0.41
MBTD1 Q05BQ5 4/20 0.40
TP53BP1 Q12888 2/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
HTR2B P41595 1/20 0.40
TP53 P04637 1/20 0.40
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL1719083 0.89 CYP2D6 (0.43) L3MBTL3L3MBTL1MCHR1MBTD1TP53BP1
SCHEMBL1719915 0.87 L3MBTL3 (0.43) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1719839 0.85 EPHX2 (0.42) L3MBTL3L3MBTL1MCHR1MCHR2MBTD1
SCHEMBL1720233 0.85 MCHR1 (0.39) L3MBTL3L3MBTL1MCHR1MCHR2MBTD1
SCHEMBL1719849 0.82 PIK3CD (0.44) L3MBTL3L3MBTL1MCHR1MBTD1TP53BP1
SCHEMBL1719482 0.82 MCHR1 (0.44) L3MBTL3L3MBTL1MCHR1MCHR2MBTD1
SCHEMBL1720277 0.82 L3MBTL3 (0.45) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1719382 0.80 IRAK4 (0.45) L3MBTL3L3MBTL1TP53BP1L3MBTL4KCNH2
SCHEMBL1720249 0.80 CYP3A4 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL12662445 0.80 CYP2D6 (0.44) L3MBTL3L3MBTL1MCHR1TP53BP1L3MBTL4

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 12 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
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
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
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
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 L3MBTL3 3062/4885L3MBTL1 3575/4885MCHR1 161/4885

“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.