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SCHEMBL1720205

SCHEMBL1720205

O=C(c1c(-c2ccc(O)nc2)nc(-c2cccc(OC(F)(F)F)c2)n1C1CC1)N1CCC(N2CCC[C@H]2CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 1/20 0.37
▸ MAP3K7 O43318 1/20 0.36
▸ TAB1 Q15750 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ ITK Q08881 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ CACNA1B Q00975 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33

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
SCHEMBL1720208 1.00 SLC6A7 (0.37) SLC6A7MAP3K7TAB1USP30DGAT2
SCHEMBL1719889 0.92 EPHX2 (0.36) MAP3K7TAB1DGAT2STAT3
SCHEMBL1719892 0.92 EPHX2 (0.36) MAP3K7TAB1DGAT2STAT3
SCHEMBL1723814 0.90 DYRK1A (0.36) SLC6A7MAP3K7TAB1USP30DGAT2
SCHEMBL1723815 0.90 DYRK1A (0.36) SLC6A7MAP3K7TAB1USP30DGAT2
SCHEMBL1719887 0.88 SLC6A7 (0.40) SLC6A7MAP3K7TAB1USP30DGAT2
SCHEMBL1719270 0.86 MAP3K7 (0.38) SLC6A7MAP3K7TAB1USP30DGAT2
SCHEMBL1719267 0.86 MAP3K7 (0.38) SLC6A7MAP3K7TAB1USP30DGAT2
SCHEMBL1719431 0.84 EPHX2 (0.40) —
SCHEMBL1719434 0.84 EPHX2 (0.40) —

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
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
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 SLC6A7 1808/4885MAP3K7 1145/4885TAB1 3128/4885

“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.