SCHEMBL1719477

SCHEMBL1719477

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
IKBKG Q9Y6K9 1/20 0.39
L3MBTL3 Q96JM7 6/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AXL P30530 2/20 0.37
MERTK Q12866 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL4 Q8NA19 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MBTD1 Q05BQ5 2/20 0.36
P2RY12 Q9H244 2/20 0.36
LMNA P02545 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
SCHEMBL12672991 0.92 L3MBTL3 (0.38) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19
SCHEMBL1720087 0.91 ACACB (0.41) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19
SCHEMBL10207105 0.91 L3MBTL3 (0.40) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19
SCHEMBL1719250 0.90 L3MBTL3 (0.41) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19
SCHEMBL1720458 0.89 AVPR2 (0.37) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19
SCHEMBL1719045 0.86 L3MBTL3 (0.41) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19
SCHEMBL1891032 0.85 L3MBTL3 (0.40) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19
SCHEMBL27942993 0.85 L3MBTL3 (0.42) L3MBTL3L3MBTL1MAPTTDP1L3MBTL4
SCHEMBL1719966 0.84 CYP2C9 (0.44) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19
SCHEMBL1720509 0.84 L3MBTL3 (0.36) L3MBTL3L3MBTL1CYP2C9CYP2D6CYP2C19

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 IKBKB 1564/4885CHUK 1077/4885IKBKG 1166/4885

“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.