SCHEMBL1719040

SCHEMBL1719040

CCCCCCc1cccc(-c2nc(-c3ccc(C(=O)O)cc3)c(C(=O)N3CCC(N4CCCC4)CC3)n2C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.43
L3MBTL1 Q9Y468 8/20 0.40
TP53BP1 Q12888 1/20 0.40
MBTD1 Q05BQ5 2/20 0.40
ACACB O00763 3/20 0.39
ACACA Q13085 3/20 0.39
L3MBTL4 Q8NA19 1/20 0.38
MAPT P10636 2/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RARB P10826 4/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RARA P10276 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1719137 0.92 L3MBTL3 (0.39) L3MBTL3L3MBTL1TP53BP1MBTD1ACACB
SCHEMBL1720426 0.92 L3MBTL1 (0.41) L3MBTL3L3MBTL1MBTD1ACACBACACA
SCHEMBL1719966 0.91 CYP2C9 (0.44) L3MBTL3L3MBTL1TP53BP1MBTD1ACACB
SCHEMBL27942993 0.89 L3MBTL3 (0.42) L3MBTL3L3MBTL1TP53BP1MBTD1ACACB
SCHEMBL1719315 0.88 CYP2C9 (0.41) L3MBTL3L3MBTL1TP53BP1MBTD1ACACB
SCHEMBL1719376 0.88 CYP2C9 (0.47) L3MBTL3L3MBTL1MBTD1ACACBACACA
SCHEMBL1720022 0.87 AXL (0.37) L3MBTL3L3MBTL1MBTD1ACACBACACA
SCHEMBL1720778 0.86 KCNH2 (0.38) L3MBTL3L3MBTL1ACACBACACAAVPR2
SCHEMBL1719238 0.86 AXL (0.38) L3MBTL3L3MBTL1MBTD1ACACBACACA
SCHEMBL1719252 0.86 CYP2C9 (0.36) L3MBTL3L3MBTL1TP53BP1MBTD1L3MBTL4

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 12 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
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 L3MBTL3 3062/4885L3MBTL1 3575/4885TP53BP1 4687/4885

“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.