SCHEMBL1719892

SCHEMBL1719892

O=C(c1c(-c2ccc(O)nc2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2CO)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
EGLN1 Q9GZT9 1/20 0.34
PIK3CD O00329 1/20 0.34
SPHK2 Q9NRA0 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
HTR2B P41595 1/20 0.34
SCN9A Q15858 2/20 0.33
CHRM3 P20309 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
STAT3 P40763 3/20 0.33
DGAT2 Q96PD7 1/20 0.33
ABL1 P00519 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL1719889 1.00 EPHX2 (0.36) EPHX2EGLN1PIK3CDSPHK2SPHK1
SCHEMBL1720208 0.92 SLC6A7 (0.37) MAP3K7TAB1STAT3DGAT2
SCHEMBL1720205 0.92 SLC6A7 (0.37) MAP3K7TAB1STAT3DGAT2
SCHEMBL1719716 0.89 EPHX2 (0.37) EPHX2PIK3CDSPHK2SPHK1HTR2B
SCHEMBL1719718 0.89 EPHX2 (0.37) EPHX2PIK3CDSPHK2SPHK1HTR2B
SCHEMBL1719431 0.89 EPHX2 (0.40) EPHX2HTR2BCHRM3ABL1
SCHEMBL1719434 0.89 EPHX2 (0.40) EPHX2HTR2BCHRM3ABL1
SCHEMBL1724292 0.87 MCHR1 (0.38) EGLN1PIK3CDHTR2BSCN9ADGAT2
SCHEMBL1719995 0.86 EPHX2 (0.40) EPHX2PIK3CDHTR2BCHRM3MAP3K7
SCHEMBL1719996 0.86 EPHX2 (0.40) EPHX2PIK3CDHTR2BCHRM3MAP3K7

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 3 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 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

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 EPHX2 934/4885EGLN1 3168/4885PIK3CD 3923/4885

“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.