SCHEMBL321436

SCHEMBL321436

CN(C)Cc1ccc(OC2CN(C(=O)O)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.57
KCNH2 Q12809 6/20 0.57
HRH3 Q9Y5N1 3/20 0.52
RORC P51449 1/20 0.42
USP30 Q70CQ3 2/20 0.41
LSS P48449 1/20 0.40
ACHE P22303 1/20 0.40
CHRNA7 P36544 1/20 0.39

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
SCHEMBL10190106 0.83 USP30 (0.55) MCHR1KCNH2HRH3USP30
SCHEMBL327662 0.80 MCHR1 (0.61) MCHR1KCNH2USP30
SCHEMBL321496 0.79 FFAR4 (0.42) MCHR1KCNH2USP30CHRNA7
SCHEMBL321809 0.79 MCHR1 (0.62) MCHR1KCNH2USP30
SCHEMBL320707 0.77 MCHR1 (0.85) MCHR1KCNH2HRH3
Formic Acid SCHEMBL320885 0.76 MCHR1 (0.61) MCHR1KCNH2
SCHEMBL16422271 0.75 LIPG (0.50) HRH3
SCHEMBL4186680 0.75 POLB (0.41) CHRNA7
SCHEMBL17729479 0.75 EPHX2 (0.46) LSS
SCHEMBL322320 0.74 MCHR1 (1.00) MCHR1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP disclosed
US-8546375-B2 (3-(4-(aminomethyl)phenoxy or phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone compounds ASTRAZENECA AB (SE) 2013-10-01 US disclosed
EP-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO disclosed
US-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS ASTRAZENECA AB (SE) 2012-01-12 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 (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-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS TYR, MC2R, MC1R MCHR1 9/4885KCNH2 1628/4885HRH3 1667/4885

“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.