SCHEMBL1720249

SCHEMBL1720249

Cn1c(-c2ccc(Cl)c(Cl)c2)nc(I)c1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL3 Q96JM7 14/20 0.45
L3MBTL1 Q9Y468 14/20 0.45
LRRK2 Q5S007 1/20 0.43
MBTD1 Q05BQ5 4/20 0.43
TP53BP1 Q12888 2/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IKBKB O14920 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL1720542 0.84 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C19L3MBTL3L3MBTL1
SCHEMBL1719915 0.82 L3MBTL3 (0.43) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1720681 0.82 CYP2C9 (0.50) CYP3A4CYP2D6CYP2C19L3MBTL3L3MBTL1
SCHEMBL1719382 0.81 IRAK4 (0.45) L3MBTL3L3MBTL1TP53BP1L3MBTL4LMNA
SCHEMBL1720277 0.80 L3MBTL3 (0.45) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1720293 0.80 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1719849 0.79 PIK3CD (0.44) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1719083 0.79 CYP2D6 (0.43) CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1
SCHEMBL1719045 0.77 L3MBTL3 (0.41) CYP2D6CYP2C19L3MBTL3L3MBTL1MBTD1
SCHEMBL1719868 0.75 KMO (0.47)

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 11 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-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 CYP3A4 541/4885CYP2D6 583/4885CYP2C19 794/4885

“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.