SCHEMBL3575604

SCHEMBL3575604

CCC(=O)c1cc(C#Cc2cccc(OC)c2)cn1CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
GRM5 P41594 4/20 0.41
HAO1 Q9UJM8 2/20 0.41
PTGES O14684 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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 0.89 FFAR1 (0.51) FFAR1MTNR1AMTNR1BCA12CA1
Hydrochloric Acid SCHEMBL3574555 0.88 FFAR1 (0.50) FFAR1MTNR1AMTNR1BCA12CA1
SCHEMBL3574553 0.88 FFAR1 (0.47) FFAR1MTNR1AMTNR1BCA12CA1
SCHEMBL3577231 0.86 FFAR1 (0.46) FFAR1MTNR1AMTNR1BCA12CA1
SCHEMBL3574539 0.86 FFAR1 (0.46) FFAR1MTNR1AMTNR1BCA12CA1
SCHEMBL7884102 0.84 FFAR1 (0.44) FFAR1MTNR1AMTNR1BCA12CA1
SCHEMBL8377030 0.79 BRD4 (0.44) MTNR1AMTNR1BEGLN1MEN1KMT2A
SCHEMBL3582847 0.77 CES2 (0.57) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL7885906 0.76 HDAC3 (0.39) GRM5PTGES
SCHEMBL18792760 0.76 FFAR1 (0.55) FFAR1MTNR1AMTNR1BCA12CA1

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 12 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-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-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-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
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
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 2884/4885MTNR1B 2232/4885
US-20080306091-A1 AMINO-5-(5-MEMBERED)HETERO-ARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR beta-SECRETASE MODULATION BACE1, BACE2, APP FFAR1 3887/4885MTNR1A 2884/4885MTNR1B 2232/4885
US-20100168106-A1 Amino-5-(5-membered)heteroarylimidazolone Compounds And The Use Thereof For Beta-secretase Modulation BACE1, BACE2, APP FFAR1 3953/4885MTNR1A 2624/4885MTNR1B 2230/4885

“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.