SCHEMBL1720828

SCHEMBL1720828

Cn1c(-c2cccc(OC(F)(F)F)c2)nc(Br)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.44
L3MBTL1 Q9Y468 9/20 0.44
L3MBTL4 Q8NA19 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MBTD1 Q05BQ5 2/20 0.43
CCKAR P32238 1/20 0.42
SLC6A7 Q99884 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.40
TP53BP1 Q12888 1/20 0.39
MCHR1 Q99705 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
SCHEMBL12662445 0.92 CYP2D6 (0.44) L3MBTL3L3MBTL1L3MBTL4CYP2D6CYP2C19
SCHEMBL1719083 0.90 CYP2D6 (0.43) L3MBTL3L3MBTL1L3MBTL4CYP2D6CYP2C19
SCHEMBL1719043 0.90 CYP2D6 (0.44) L3MBTL3L3MBTL1L3MBTL4CYP2D6CYP2C19
SCHEMBL1719730 0.89 CYP2D6 (0.44) L3MBTL3L3MBTL1L3MBTL4CYP2D6CYP2C19
SCHEMBL1719324 0.89 CYP2D6 (0.42) L3MBTL3L3MBTL1CYP2D6CYP2C19NPSR1
SCHEMBL1719218 0.88 CYP2D6 (0.41) L3MBTL3L3MBTL1L3MBTL4CYP2D6CYP2C19
SCHEMBL29698740 0.88 CYP2D6 (0.41) L3MBTL3L3MBTL1L3MBTL4CYP2D6CYP2C19
SCHEMBL1719374 0.87 CYP2C9 (0.43) L3MBTL3L3MBTL1CYP2D6CYP2C19NPSR1
SCHEMBL1719055 0.87 CYP2D6 (0.40) L3MBTL3L3MBTL1CYP2D6CYP2C19NPSR1
SCHEMBL1719953 0.86 CYP2D6 (0.40) L3MBTL3L3MBTL1CYP2D6CYP2C19NPSR1

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 10 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
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

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 3575/4885L3MBTL4 3905/4885

“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.