SCHEMBL3577231

SCHEMBL3577231

CCn1cc(C#Cc2cccc(OC)c2)cc1C(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
MTNR1A P48039 2/20 0.43
EGLN1 Q9GZT9 1/20 0.43
MTNR1B P49286 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PTGES O14684 2/20 0.41
GRM5 P41594 2/20 0.40
HAO1 Q9UJM8 2/20 0.39
HSD17B1 P14061 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PLK1 P53350 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL3580286 0.87 FFAR1 (0.51) FFAR1MTNR1AEGLN1MTNR1BPDE10A
SCHEMBL3575604 0.86 FFAR1 (0.47) FFAR1MTNR1AEGLN1MTNR1BPDE10A
Hydrochloric Acid SCHEMBL3574555 0.86 FFAR1 (0.50) FFAR1MTNR1AEGLN1MTNR1BPDE10A
SCHEMBL3574553 0.86 FFAR1 (0.47) FFAR1MTNR1AEGLN1MTNR1BPDE10A
SCHEMBL3574539 0.84 FFAR1 (0.46) FFAR1MTNR1AMTNR1BCA12CA1
SCHEMBL7884102 0.82 FFAR1 (0.44) FFAR1MTNR1AEGLN1MTNR1BPDE10A
SCHEMBL30707880 0.70 GRM5 (0.66) FFAR1CA12CA1CA2CA9
SCHEMBL6132140 0.70 GRM5 (0.66) FFAR1CA12CA1CA2CA9
SCHEMBL18792760 0.69 FFAR1 (0.55) FFAR1MTNR1AEGLN1MTNR1BCA12
SCHEMBL14142861 0.68 GRM5 (0.43) FFAR1MTNR1AEGLN1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation WYETH LLC (US) 2010-07-01 US disclosed
US-7705030-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH LLC (US) 2010-04-27 US disclosed
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION WYETH (US) 2008-12-11 US disclosed
US-7417047-B2 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-08-26 US disclosed
EP-1896454-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR -SECRETASE MODULATION Wyeth a Corporation of the State of Delaware (US) 2008-03-12 EP disclosed
WO-2007005366-A1 AMlNO-5-(5-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR β-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 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-20070004786-A1 Amino-5-(5-membered)hetero-arylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP FFAR1 3887/4885MTNR1A 2884/4885EGLN1 2044/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP FFAR1 3887/4885MTNR1A 2884/4885EGLN1 2044/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP FFAR1 3953/4885MTNR1A 2624/4885EGLN1 2384/4885

“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.