Sugi Predict

Sugi Predict / Compounds / SCHEMBL1720097

SCHEMBL1720097

SCHEMBL1720097

Cn1c(-c2cccc(OC(F)(F)F)c2)nc(Br)c1C(=O)N1CCC(N2CCC[C@H]2CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ MAP3K7 O43318 1/20 0.38
▸ TAB1 Q15750 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ CCKAR P32238 1/20 0.37
▸ PIM1 P11309 5/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ CHRM3 P20309 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SPHK2 Q9NRA0 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35
▸ MAPK7 Q13164 1/20 0.35
▸ GAK O14976 1/20 0.35
▸ STK10 O94804 1/20 0.35
▸ YES1 P07947 1/20 0.35
▸ RET P07949 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
SCHEMBL1720101 1.00 HCRTR1 (0.39) HCRTR1HCRTR2MAP3K7TAB1SLC6A7
SCHEMBL1720433 0.91 HCRTR1 (0.39) HCRTR1HCRTR2MAP3K7TAB1SLC6A7
SCHEMBL1719189 0.91 HCRTR1 (0.39) HCRTR1HCRTR2MAP3K7TAB1SLC6A7
SCHEMBL1719185 0.91 HCRTR1 (0.39) HCRTR1HCRTR2MAP3K7TAB1SLC6A7
SCHEMBL1719100 0.89 CHRNB2 (0.44) HCRTR1HCRTR2SLC6A7HSD11B1CCKAR
SCHEMBL1719607 0.89 HCRTR1 (0.37) HCRTR1HCRTR2MAP3K7TAB1SLC6A7
SCHEMBL1719087 0.89 HCRTR1 (0.37) HCRTR1HCRTR2MAP3K7TAB1SLC6A7
SCHEMBL1719125 0.89 HCRTR1 (0.37) HCRTR1HCRTR2MAP3K7TAB1SLC6A7
SCHEMBL1719834 0.88 MAP3K7 (0.38) HCRTR1HCRTR2MAP3K7TAB1SLC6A7
SCHEMBL1720468 0.88 MAP3K7 (0.38) HCRTR1HCRTR2MAP3K7TAB1SLC6A7

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
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 HCRTR1 195/4885HCRTR2 139/4885MAP3K7 1145/4885

“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.