SCHEMBL1719987

SCHEMBL1719987

CCCCCCc1cccc(-c2ncc(C(=O)N3CCC(N(CC)CC)C3)n2C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 1/20 0.37
JAK1 P23458 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
FAAH O00519 1/20 0.34
SLC5A1 P13866 1/20 0.34

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
SCHEMBL1719022 0.83 POLR1A (0.38) POLR1AJAK1PPARGPPARACNR1
SCHEMBL1719832 0.83 L3MBTL3 (0.42)
SCHEMBL1718944 0.77 PARP1 (0.40) SPHK2FAAH
SCHEMBL2201719 0.72 JAK1 (0.38) POLR1AJAK1PPARGPPARACNR1
SCHEMBL1719315 0.68 CYP2C9 (0.41)
SCHEMBL1719238 0.68 AXL (0.38) HRH3PIK3CAMTOR
SCHEMBL1720022 0.68 AXL (0.37) HRH3PIK3CAMTOR
SCHEMBL1719376 0.68 CYP2C9 (0.47)
SCHEMBL1719966 0.67 CYP2C9 (0.44) HRH3
SCHEMBL1720426 0.67 L3MBTL1 (0.41)

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 9 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
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 POLR1A 2461/4885JAK1 921/4885PPARG 757/4885

“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.