SCHEMBL1719966

SCHEMBL1719966

CCCCCCc1cccc(-c2nc(-c3ccncc3)c(C(=O)N3CCC(N4CCCC4)CC3)n2C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
L3MBTL3 Q96JM7 11/20 0.38
L3MBTL1 Q9Y468 9/20 0.38
L3MBTL4 Q8NA19 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MBTD1 Q05BQ5 4/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53BP1 Q12888 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1719376 0.92 CYP2C9 (0.47) CYP2C9L3MBTL3L3MBTL1L3MBTL4MAPT
SCHEMBL1719315 0.91 CYP2C9 (0.41) CYP2C9L3MBTL3L3MBTL1L3MBTL4MAPT
SCHEMBL1720426 0.91 L3MBTL1 (0.41) CYP2C9L3MBTL3L3MBTL1L3MBTL4MAPT
SCHEMBL1719040 0.91 L3MBTL3 (0.43) L3MBTL3L3MBTL1L3MBTL4MAPTTDP1
SCHEMBL1719252 0.90 CYP2C9 (0.36) CYP2C9L3MBTL3L3MBTL1L3MBTL4MAPT
SCHEMBL1720181 0.89 CYP2D6 (0.38) CYP2C9L3MBTL3L3MBTL1L3MBTL4MAPT
SCHEMBL1719137 0.89 L3MBTL3 (0.39) L3MBTL3L3MBTL1L3MBTL4MBTD1TP53BP1
SCHEMBL1719182 0.88 CYP2C9 (0.46) CYP2C9L3MBTL3L3MBTL1L3MBTL4MAPT
SCHEMBL1724742 0.88 SPHK2 (0.38) CYP2C9
SCHEMBL1724740 0.88 SPHK2 (0.38) CYP2C9

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 10 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
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 (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 CYP2C9 557/4885L3MBTL3 3062/4885L3MBTL1 3575/4885

“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.