SCHEMBL4201612

SCHEMBL4201612

Fc1ccc(-c2c(F)[c]ccc2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
TYMP P19971 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
TTR P02766 1/20 0.31
BCL2L1 Q07817 1/20 0.30
BAD Q92934 1/20 0.30
MAPK14 Q16539 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL434738 0.83 NPC1 (0.38) MAOBNPC1RAB9A
SCHEMBL1981264 0.83 ACHE (0.36) PTGS2PTGS1ACHE
SCHEMBL8013535 0.83 LMNA (0.36) TYMPTTR
SCHEMBL9559536 0.81 MAOB (0.31) MAOBTYMPNPC1RAB9APTGS2
SCHEMBL9650229 0.79 ACHE (0.36) MAOBTYMPNPC1RAB9APTGS2
SCHEMBL8072532 0.79 TAAR1 (0.35) MAOBNPC1RAB9A
SCHEMBL8877628 0.79 MAOB (0.40) MAOBNPC1RAB9APTGS2ACHE
SCHEMBL8077726 0.76 MAOB (0.37) MAOBNPC1RAB9A
SCHEMBL9559560 0.75 ACHE (0.36) PTGS2PTGS1TTRMAPK14ACHE
SCHEMBL17514677 0.74

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-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP claimed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP claimed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO claimed
US-10017468-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists OGEDA SA (BE) 2018-07-10 US disclosed
US-20170283376-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2017-10-05 US disclosed
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP disclosed
US-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US disclosed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US disclosed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 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 (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-10017468-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GIPR, GPR88, FFAR3 MAOB 1902/4885TYMP 3608/4885NPC1 1721/4885
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 MAOB 2769/4885TYMP 4124/4885NPC1 3316/4885
US-20170283376-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 MAOB 2699/4885TYMP 3721/4885NPC1 737/4885

“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.