SCHEMBL320800

SCHEMBL320800

CN(C)Cc1ccc(OC2CNC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ACACB O00763 1/20 0.43
ACHE P22303 1/20 0.42
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
HRH1 P35367 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL3121410 0.77 HRH3 (0.61) HRH3SLC6A4SLC6A2SLC6A3ACHE
SCHEMBL25517603 0.77 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3ACACBHRH1
SCHEMBL327249 0.76 KCNH2 (0.47) SLC6A4KCNH2MCHR1HTR2CHTR2B
SCHEMBL327527 0.76 SLC6A4 (0.46) HRH3SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL322766 0.75 KCNH2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2MCHR1
SCHEMBL322092 0.75 SLC6A4 (0.60) HRH3SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1742193 0.74 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3ACHEHTR2C
SCHEMBL2298255 0.74 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3ALDH1A1HTR2C
SCHEMBL18379624 0.73 HRH3 (0.48) HRH3SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL15064687 0.73 NQO1 (0.54) SLC6A4SLC6A2SLC6A3ACACBTSHR

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
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP 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
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
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
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 HRH3 1667/4885SLC6A4 293/4885SLC6A2 345/4885

“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.