SCHEMBL1719404

SCHEMBL1719404

C#Cc1nc(-c2cccc(C(F)(F)F)c2)n(C)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
L3MBTL3 Q96JM7 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TRPV4 Q9HBA0 6/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ADORA2B P29275 1/20 0.41
GRM5 P41594 1/20 0.41
TACR2 P21452 1/20 0.40
TACR3 P29371 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL29698741 1.00 ACACB (0.44) ACACBACACAL3MBTL3L3MBTL1TRPV4
SCHEMBL1718933 0.89 GRM5 (0.41) ACACBACACAL3MBTL3L3MBTL1TRPV4
SCHEMBL1719218 0.87 CYP2D6 (0.41) L3MBTL3L3MBTL1HRH3
SCHEMBL29698740 0.87 CYP2D6 (0.41) L3MBTL3L3MBTL1HRH3
SCHEMBL1719382 0.86 IRAK4 (0.45) ACACBACACAL3MBTL3L3MBTL1TRPV4
SCHEMBL1718938 0.86 L3MBTL3 (0.44) ACACBACACAL3MBTL3L3MBTL1TRPV4
SCHEMBL1719974 0.85 TRPV4 (0.43) ACACBACACAL3MBTL3L3MBTL1TRPV4
SCHEMBL1719041 0.83 ACACB (0.43) ACACBACACAL3MBTL3L3MBTL1TRPV4
SCHEMBL1720532 0.83 CYP2C9 (0.49) ACACBACACAL3MBTL3L3MBTL1TRPV4
SCHEMBL1421309 0.82 ACACB (0.43) ACACBACACAL3MBTL3L3MBTL1TRPV4

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 15 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
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 ACACB 29/4885ACACA 36/4885L3MBTL3 3095/4885
US-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 ACACB 4413/4885ACACA 4498/4885L3MBTL3 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.