SCHEMBL1549919

SCHEMBL1549919

FC(F)(F)Oc1ccc(-c2ccc(CCl)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.46
CYP1A2 P05177 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SCN5A Q14524 3/20 0.42
FNTA P49354 1/20 0.41
PGGT1B P53609 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GCGR P47871 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN10A Q9Y5Y9 3/20 0.39

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
Hydrochloric Acid SCHEMBL30767633 0.91 CHRM5 (0.43) CHRM5CYP1A2MAPTRAB9AL3MBTL1
SCHEMBL2056330 0.86 SMN1; SMN2 (0.54) CHRM5CYP1A2MAPTRAB9AL3MBTL1
SCHEMBL1550145 0.85 CHRM5 (0.46) CHRM5CYP1A2MAPTRAB9AL3MBTL1
SCHEMBL19531531 0.85 CHRM5 (0.46) CHRM5CYP1A2MAPTRAB9AL3MBTL1
SCHEMBL8515356 0.82 MAPT (0.57) CHRM5CYP1A2MAPTRAB9AL3MBTL1
SCHEMBL3602312 0.80 ALDH1A1 (0.47) CHRM5SCN5AALDH1A1
SCHEMBL21034957 0.80 KDM1A (0.47) CHRM5CYP1A2MAPTRAB9AL3MBTL1
SCHEMBL31374887 0.80 CHRM5 (0.44) CHRM5CYP1A2MAPTRAB9AL3MBTL1
SCHEMBL1550000 0.80 CYP11B1 (0.49) RAB9AL3MBTL1FNTAPGGT1BNPC1
Hydrochloric Acid SCHEMBL31375590 0.78 CYP11B1 (0.48) RAB9AL3MBTL1FNTAPGGT1BNPC1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1875002-B Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE 2011-08-03 CN disclosed
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
CN-100509802-C Heteroaryl deravatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 US disclosed
CN-1878768-A heteroaryl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
CN-1875002-A Phenyl derivatives as PPAR agonists HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US 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 (3 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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD CHRM5 1018/4885CYP1A2 19/4885MAPT 2093/4885
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG CHRM5 194/4885CYP1A2 94/4885MAPT 2957/4885
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG CHRM5 256/4885CYP1A2 233/4885MAPT 2519/4885

“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.