SCHEMBL6780294

SCHEMBL6780294

OCC=CC#Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.33
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
APP P05067 1/20 0.32
GRM5 P41594 2/20 0.32
TRPA1 O75762 2/20 0.32
TRPV3 Q8NET8 2/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 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
SCHEMBL6780291 1.00 FFAR1 (0.39) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL5633249 0.90 PPARD (0.35) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL5633252 0.90 PPARD (0.35) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL7799735 0.80 KIF11 (0.38) FFAR1
SCHEMBL7799739 0.80 KIF11 (0.38) FFAR1
SCHEMBL5480351 0.80 APP (0.44) FFAR1PPARDPPARAPPARGAPP
SCHEMBL5483934 0.80 APP (0.44) FFAR1PPARDPPARAPPARGAPP
SCHEMBL5480347 0.80 APP (0.44) FFAR1PPARDPPARAPPARGAPP
SCHEMBL5634095 0.74 PPARD (0.40) FFAR1FFAR4PPARDPPARAPPARG
SCHEMBL5634092 0.74 PPARD (0.40) FFAR1FFAR4PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720342-B2 AZABICYCLIC COMPOUNDS USED IN TREATING A DISEASE IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM. NOVO NORDISK A/S (DK) 2004-04-13 US disclosed
US-20020115697-A1 Heterocyclic compounds and their preparation and use JEPPESEN LONE (DK) 2002-08-22 US disclosed
EP-0900217-A4 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2001-05-23 EP disclosed
US-6069159-A USEFUL AS STIMULANTS OF THE COGNITIVE FUNCTION OF THE FOREBRAIN AND HIPPOCAMPUS OF MAMMALS ELI LILLY AND COMPANY (US) 2000-05-30 US disclosed
EP-0900217-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-10 EP disclosed
EP-0888355-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-01-07 EP disclosed
WO-1997040042-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-30 WO disclosed
WO-1997034899-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-09-25 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-20020115697-A1 Heterocyclic compounds and their preparation and use CHRM5, ACHE, CHRM2 FFAR1 2321/4885FFAR4 2840/4885PPARD 1505/4885

“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.