SCHEMBL4318679

SCHEMBL4318679

CCc1cc([C@]2(c3cccc(-c4ccc(F)nc4)c3)N=C(N)N(C)C2=O)cc(CC)n1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.73
BACE2 Q9Y5Z0 11/20 0.73
CTSD P07339 5/20 0.70

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
SCHEMBL4309610 1.00 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL4313842 1.00 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL4961484 0.85 BACE1 (0.83) BACE1BACE2CTSD
SCHEMBL4737569 0.85 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL7923286 0.84 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL4971919 0.84 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL7921788 0.84 BACE1 (1.00) BACE1BACE2CTSD
SCHEMBL22028681 0.84 BACE1 (0.68) BACE1BACE2CTSD
SCHEMBL4785264 0.83 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL4879898 0.83 BACE1 (0.59) BACE1BACE2CTSD

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
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 US disclosed
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 US disclosed
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 US disclosed
EP-1896448-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION Wyeth (US) 2008-03-12 EP disclosed
WO-2007005404-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR ß-SECRETASE MODULATION WYETH (US) 2007-01-11 WO disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 US disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone 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 (2 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-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 145/4885
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 145/4885

“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.