SCHEMBL1719224

SCHEMBL1719224

O=C(c1c(-c2ccnc(O)c2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.39
MAPK7 Q13164 4/20 0.39
MCHR2 Q969V1 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM2 Q14416 4/20 0.38
EPHX2 P34913 1/20 0.38
CYP2C9 P11712 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTR2B P41595 1/20 0.36
ACHE P22303 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL1720454 0.91 SLC6A7 (0.40) MCHR1L3MBTL3L3MBTL1CYP2C9HRH3
SCHEMBL1724292 0.89 MCHR1 (0.38) MCHR1MCHR2L3MBTL3L3MBTL1HRH3
SCHEMBL1719200 0.88 MCHR1 (0.39) MCHR1MCHR2L3MBTL3L3MBTL1HRH3
SCHEMBL1719441 0.85 ABL1 (0.39) MCHR1MCHR2L3MBTL3L3MBTL1HTR2B
SCHEMBL1719458 0.85 L3MBTL3 (0.39) MCHR1MAPK7MCHR2L3MBTL3L3MBTL1
SCHEMBL1719037 0.85 CYP2C9 (0.46) L3MBTL3L3MBTL1EPHX2CYP2C9HTR2B
SCHEMBL1719495 0.85 PIK3CA (0.40) MCHR1MCHR2L3MBTL3L3MBTL1HRH3
SCHEMBL1720164 0.84 KDM5A (0.42) GRM2
SCHEMBL1719366 0.84 PIK3CD (0.42) MCHR1MCHR2L3MBTL3L3MBTL1HRH3
SCHEMBL1720060 0.83 MCHR1 (0.39) MCHR1MAPK7MCHR2L3MBTL3L3MBTL1

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 18 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 claimed
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
EP-2173735-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-04-14 EP claimed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US claimed
WO-2009003861-A1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO claimed
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 MCHR1 161/4885MAPK7 737/4885MCHR2 142/4885

“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.