SCHEMBL326745

SCHEMBL326745

COc1c(CN2CCCC2)ccc(OC2CNC2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
OPRD1 P41143 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
SLC6A4 P31645 1/20 0.50
OPRK1 P41145 1/20 0.50
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
OPRM1 P35372 1/20 0.44
HTR5A P47898 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6796332 0.73 MEN1 (0.97) KMT2AMEN1POLBTSHRALDH1A1
SCHEMBL327185 0.73 CRHBP (0.49) ALDH1A1SLC6A4KDM4EMAPT
SCHEMBL11928962 0.72 CHRM2 (0.72) KMT2AMEN1POLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL30087523 0.71 APOBEC3A (0.73) KMT2AMEN1POLBTSHRALDH1A1
SCHEMBL8064185 0.69 CHRM2 (0.74) KMT2AMEN1POLBTSHRALDH1A1
SCHEMBL22170495 0.69 SLC6A4 (0.37) SLC6A4
SCHEMBL13513036 0.69 OPRD1 (0.67) KMT2AMEN1POLBTSHRALDH1A1
SCHEMBL321563 0.68 KDM4E (0.52) KMT2AMEN1POLBALDH1A1SLC6A4
Trimetazidine SCHEMBL230374 0.67 CHRM2 (1.00) KMT2AMEN1POLBTSHRALDH1A1
Trimetazidine SCHEMBL29375563 0.67 CHRM2 (1.00) KMT2AMEN1POLBTSHRALDH1A1

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 KMT2A 2009/4885MEN1 101/4885POLB 2885/4885

“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.