SCHEMBL321809

SCHEMBL321809

CN(C)Cc1ccc(OC2CN(C(=O)O)C2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.62
KCNH2 Q12809 3/20 0.62
HTR2A P28223 4/20 0.41
ADRB2 P07550 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
USP30 Q70CQ3 2/20 0.38
SLC6A4 P31645 1/20 0.37
ACACB O00763 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL327662 0.86 MCHR1 (0.61) MCHR1KCNH2USP30ACACB
SCHEMBL10190085 0.85 MCHR1 (0.57) MCHR1KCNH2USP30GPR119
SCHEMBL23365192 0.80 GRIN1 (0.48) MCHR1KCNH2PTGS1PTGS2ACACB
SCHEMBL321217 0.80 ADRB2 (0.56) MCHR1KCNH2ADRB2
SCHEMBL321807 0.79 MCHR1 (0.87) MCHR1KCNH2
SCHEMBL321436 0.79 MCHR1 (0.57) MCHR1KCNH2USP30
SCHEMBL327335 0.79 MCHR1 (0.67) MCHR1KCNH2HTR2AADRB2
SCHEMBL27933383 0.78 MCHR1 (0.62) MCHR1KCNH2USP30ACACB
SCHEMBL327186 0.77 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL322766 0.77 KCNH2 (0.47) MCHR1KCNH2HTR2ASLC6A4

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 1628/4885HTR2A 87/4885

“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.