SCHEMBL1720147

SCHEMBL1720147

Cn1c(-c2cccc(C(F)(F)F)c2)nc(I)c1C(=O)N1CCC(N2CCCC(O)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
IDH2 P48735 3/20 0.40
KMT2A Q03164 1/20 0.39
ADRA1A P35348 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37
UCHL1 P09936 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
CNR2 P34972 1/20 0.37
CHRM2 P08172 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
SCHEMBL1719382 0.91 IRAK4 (0.45) ACACBACACAIRAK4KCNH2LMNA
SCHEMBL1719249 0.90 ACACB (0.46) ACACBACACAIDH2IRAK4KCNH2
SCHEMBL1720277 0.82 L3MBTL3 (0.45) KMT2AIRAK4
SCHEMBL1720504 0.81 L3MBTL3 (0.44) ACACBACACAIRAK4LMNATRPV4
SCHEMBL1718938 0.81 L3MBTL3 (0.44) ACACBACACAIRAK4KCNH2LMNA
SCHEMBL1720834 0.80 IRAK4 (0.45) ACACBACACAIRAK4KCNH2TRPV4
SCHEMBL1719915 0.80 L3MBTL3 (0.43) ACACBACACAKMT2A
SCHEMBL1719974 0.79 TRPV4 (0.43) ACACBACACAKMT2AIRAK4KCNH2
SCHEMBL29698741 0.79 ACACB (0.44) ACACBACACAIRAK4KCNH2LMNA
SCHEMBL1719404 0.79 ACACB (0.44) ACACBACACAIRAK4KCNH2LMNA

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 4498/4885IDH2 1829/4885

“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.