Sugi Predict

Sugi Predict / Compounds / SCHEMBL1719220

SCHEMBL1719220

SCHEMBL1719220

O=C(c1c(-c2ccco2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.38
▸ L3MBTL3 Q96JM7 6/20 0.37
▸ L3MBTL1 Q9Y468 6/20 0.37
▸ EPHX2 P34913 4/20 0.37
▸ TP53BP1 Q12888 2/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MCHR2 Q969V1 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MBTD1 Q05BQ5 1/20 0.35
▸ L3MBTL4 Q8NA19 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 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
SCHEMBL1719458 0.86 L3MBTL3 (0.39) HTR2BL3MBTL3L3MBTL1EPHX2TP53BP1
SCHEMBL1719200 0.85 MCHR1 (0.39) HTR2BL3MBTL3L3MBTL1TP53BP1MCHR1
SCHEMBL1719441 0.84 ABL1 (0.39) HTR2BL3MBTL3L3MBTL1MCHR1ACHE
SCHEMBL1719226 0.84 POLB (0.40) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL1719410 0.84 HTR2B (0.40) HTR2BL3MBTL3L3MBTL1TP53BP1MCHR1
SCHEMBL1719037 0.84 CYP2C9 (0.46) HTR2BL3MBTL3L3MBTL1EPHX2ACHE
SCHEMBL1719482 0.83 MCHR1 (0.44) HTR2BL3MBTL3L3MBTL1TP53BP1MCHR1
SCHEMBL1719224 0.83 MCHR1 (0.39) HTR2BL3MBTL3L3MBTL1EPHX2MCHR1
SCHEMBL1724292 0.83 MCHR1 (0.38) HTR2BL3MBTL3L3MBTL1TP53BP1MCHR1
SCHEMBL1719366 0.83 PIK3CD (0.42) HTR2BL3MBTL3L3MBTL1TP53BP1MCHR1

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 HTR2B 634/4885L3MBTL3 3062/4885L3MBTL1 3575/4885

“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.