SCHEMBL1719366

SCHEMBL1719366

O=C(c1c(-c2cn[nH]c2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
DGAT2 Q96PD7 1/20 0.39
HTR2B P41595 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
L3MBTL3 Q96JM7 7/20 0.37
L3MBTL1 Q9Y468 6/20 0.37
MCHR1 Q99705 2/20 0.37
MCHR2 Q969V1 1/20 0.36
MBTD1 Q05BQ5 4/20 0.36
TP53BP1 Q12888 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
AKR1C3 P42330 1/20 0.36
HSD11B1 P28845 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 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
SCHEMBL1719202 0.90 DGAT2 (0.40) PIK3CDDGAT2L3MBTL3L3MBTL1MCHR1
SCHEMBL1719458 0.88 L3MBTL3 (0.39) PIK3CDDGAT2HTR2BL3MBTL3L3MBTL1
SCHEMBL1719200 0.87 MCHR1 (0.39) PIK3CDDGAT2HTR2BHRH3L3MBTL3
SCHEMBL1719441 0.87 ABL1 (0.39) HTR2BL3MBTL3L3MBTL1MCHR1MCHR2
SCHEMBL1724292 0.87 MCHR1 (0.38) PIK3CDDGAT2HTR2BHRH3L3MBTL3
SCHEMBL1719322 0.86 HTR2B (0.38) DGAT2HTR2BL3MBTL3L3MBTL1MCHR1
SCHEMBL1719037 0.86 CYP2C9 (0.46) HTR2BL3MBTL3L3MBTL1CYP11B1CYP11B2
SCHEMBL1719495 0.86 PIK3CA (0.40) HRH3L3MBTL3L3MBTL1MCHR1MCHR2
SCHEMBL1720060 0.85 MCHR1 (0.39) PIK3CDHTR2BL3MBTL3L3MBTL1MCHR1
SCHEMBL1719410 0.84 HTR2B (0.40) HTR2BL3MBTL3L3MBTL1MCHR1MCHR2

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 16 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
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 US 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 PIK3CD 3923/4885DGAT2 4876/4885HTR2B 634/4885

“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.