SCHEMBL1720233

SCHEMBL1720233

Cn1c(-c2ccc(OC(F)(F)F)cc2)nc(-c2cncnc2)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
MCHR2 Q969V1 1/20 0.39
L3MBTL3 Q96JM7 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PIK3CD O00329 1/20 0.38
MAPK7 Q13164 6/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR2B P41595 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
TP53BP1 Q12888 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.37
TP53 P04637 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL1719839 0.90 EPHX2 (0.42) MCHR1MCHR2L3MBTL3L3MBTL1DPP4
SCHEMBL1719055 0.90 CYP2D6 (0.40) MCHR1L3MBTL3L3MBTL1MAPK7
SCHEMBL1719458 0.90 L3MBTL3 (0.39) MCHR1MCHR2L3MBTL3L3MBTL1DPP4
SCHEMBL1719474 0.89 HRH3 (0.41) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL1719569 0.85 PIK3CD (0.44) L3MBTL3L3MBTL1PIK3CDKCNH2HRH3
SCHEMBL1720293 0.85 L3MBTL3 (0.42) MCHR1MCHR2L3MBTL3L3MBTL1DPP4
SCHEMBL1720132 0.84 MBTD1 (0.42) L3MBTL3L3MBTL1PIK3CDMAPK7KCNH2
SCHEMBL1720677 0.84 L3MBTL3 (0.42) L3MBTL3L3MBTL1KCNH2MBTD1TP53BP1
SCHEMBL1719041 0.83 ACACB (0.43) L3MBTL3L3MBTL1DPP4DPP7KCNH2
SCHEMBL1720442 0.83 CYP2C9 (0.47) MCHR1L3MBTL3L3MBTL1

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
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP claimed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US claimed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US claimed
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 MCHR1 161/4885MCHR2 142/4885L3MBTL3 3062/4885

“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.