SCHEMBL327662

SCHEMBL327662

Cc1cc(OC2CN(C(=O)O)C2)ccc1CN(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.61
KCNH2 Q12809 4/20 0.61
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
USP30 Q70CQ3 2/20 0.38
PLA2G1B P04054 1/20 0.36
POLB P06746 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ACACB O00763 2/20 0.36
PDGFRA P16234 1/20 0.35
ROCK1 Q13464 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35

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
SCHEMBL27933383 0.91 MCHR1 (0.62) MCHR1KCNH2S1PR1S1PR5USP30
SCHEMBL321809 0.86 MCHR1 (0.62) MCHR1KCNH2USP30ACACB
SCHEMBL10190070 0.85 KCNH2 (0.56) MCHR1KCNH2USP30
SCHEMBL27933384 0.81 MCHR1 (0.52) MCHR1KCNH2S1PR1S1PR5ACACB
SCHEMBL321436 0.80 MCHR1 (0.57) MCHR1KCNH2USP30
SCHEMBL322035 0.79 MCHR1 (0.86) MCHR1KCNH2
SCHEMBL321449 0.77 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL321927 0.77 MCHR1 (0.90) MCHR1KCNH2
SCHEMBL327527 0.76 SLC6A4 (0.46) MCHR1KCNH2ROCK1
SCHEMBL326494 0.75 MCHR1 (0.87) MCHR1KCNH2

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
CN-103209979-B therapeutic agent 976 ASTRAZENECA AB (SE) 2016-02-10 CN disclosed
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
CN-103209979-A Therapeutic agent 976 ASTRAZENECA AB 2013-07-17 CN 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 1628/4885S1PR1 3974/4885

“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.