SCHEMBL6790973

SCHEMBL6790973

COc1cccc(C#CC(O)C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
HSD17B2 P37059 1/20 0.46
FFAR1 O14842 1/20 0.45
HAO1 Q9UJM8 3/20 0.43
PTGES O14684 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALOX5 P09917 1/20 0.42
AOC3 Q16853 1/20 0.40

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
SCHEMBL6784118 0.87 GRM5 (0.49) GRM5CA12CA1CA2CA9
SCHEMBL20364509 0.83 GRM5 (0.51) GRM5CA12CA1CA2CA9
SCHEMBL234920 0.80 TAAR1 (0.44) FFAR1HAO1ALOX5
SCHEMBL6785409 0.79 FFAR1 (0.47) GRM5CA12CA1CA2CA9
SCHEMBL6132140 0.78 GRM5 (0.66) GRM5CA12CA1CA2CA9
SCHEMBL30707880 0.78 GRM5 (0.66) GRM5CA12CA1CA2CA9
SCHEMBL6781401 0.77 GRM5 (0.46) GRM5CA12CA1CA2CA9
SCHEMBL6785340 0.77 KCNH2 (0.47) GRM5HAO1PTGES
SCHEMBL617501 0.75 APP (0.46) HSD17B2FFAR1
SCHEMBL9578333 0.75 GRM5 (0.45) GRM5CA12CA1CA2CA9

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 GRM5 107/4885CA12 604/4885CA1 250/4885

“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.