SCHEMBL1719249

SCHEMBL1719249

Cn1c(-c2cccc(C(F)(F)F)c2)nc(I)c1C(=O)N1CCC(N2CCC(O)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.46
ACACA Q13085 5/20 0.46
ALDH1A1 P00352 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
KCNH2 Q12809 2/20 0.39
CTSK P43235 1/20 0.39
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
IDH2 P48735 1/20 0.38
CCR5 P51681 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
MCHR1 Q99705 1/20 0.38
TACR1 P25103 1/20 0.38
CNR2 P34972 1/20 0.38
EGFR P00533 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL1719382 0.93 IRAK4 (0.45) ACACBACACAIRAK4KCNH2
SCHEMBL1720147 0.90 ACACB (0.41) ACACBACACAIRAK4KCNH2IDH2
SCHEMBL1720277 0.83 L3MBTL3 (0.45) ALDH1A1IRAK4
SCHEMBL1718938 0.82 L3MBTL3 (0.44) ACACBACACAIRAK4KCNH2
SCHEMBL1720504 0.82 L3MBTL3 (0.44) ACACBACACAIRAK4
SCHEMBL1720834 0.81 IRAK4 (0.45) ACACBACACAIRAK4KCNH2
SCHEMBL1719915 0.81 L3MBTL3 (0.43) ACACBACACAALDH1A1
SCHEMBL1719974 0.80 TRPV4 (0.43) ACACBACACAIRAK4KCNH2
SCHEMBL1083738 0.80 ACACB (0.50) ACACBACACAALDH1A1CCR5GPR52
SCHEMBL29698741 0.80 ACACB (0.44) ACACBACACAIRAK4KCNH2

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 7 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
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-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 ACACB 4413/4885ACACA 4498/4885ALDH1A1 1556/4885

“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.