SCHEMBL1719974

SCHEMBL1719974

CCc1nc(-c2cccc(C(F)(F)F)c2)n(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 9/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
TACR2 P21452 1/20 0.42
TACR3 P29371 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 1/20 0.41
MBTD1 Q05BQ5 1/20 0.41

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 0.87 IRAK4 (0.45) TRPV4IRAK4L3MBTL3L3MBTL1ACACB
SCHEMBL1718938 0.87 L3MBTL3 (0.44) TRPV4IRAK4L3MBTL3L3MBTL1ACACB
SCHEMBL1719730 0.87 CYP2D6 (0.44) L3MBTL3L3MBTL1L3MBTL4MBTD1
SCHEMBL1719404 0.85 ACACB (0.44) TRPV4IRAK4L3MBTL3L3MBTL1ACACB
SCHEMBL29698741 0.85 ACACB (0.44) TRPV4IRAK4L3MBTL3L3MBTL1ACACB
SCHEMBL1719041 0.84 ACACB (0.43) TRPV4IRAK4L3MBTL3L3MBTL1ACACB
SCHEMBL1720532 0.83 CYP2C9 (0.49) TRPV4IRAK4L3MBTL3L3MBTL1ACACB
SCHEMBL1718933 0.83 GRM5 (0.41) TRPV4IRAK4L3MBTL3L3MBTL1ACACB
SCHEMBL1719250 0.82 L3MBTL3 (0.41) L3MBTL3L3MBTL1ACACBACACAL3MBTL4
SCHEMBL1720834 0.81 IRAK4 (0.45) TRPV4IRAK4L3MBTL3L3MBTL1ACACB

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 12 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 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 TRPV4 178/4885IRAK4 121/4885L3MBTL3 3062/4885

“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.