SCHEMBL321563

SCHEMBL321563

Fc1cc(OC2CNC2)ccc1CN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ADRB2 P07550 1/20 0.50
ALDH1A1 P00352 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LTA4H P09960 1/20 0.41
MCHR1 Q99705 3/20 0.41
HRH3 Q9Y5N1 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
CXCR3 P49682 2/20 0.39
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL322065 0.88 MCHR1 (0.52) KDM4ESMN1; SMN2ADRB2ALDH1A1SLC6A2
SCHEMBL321297 0.83 NR1H2 (0.45) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL321217 0.79 ADRB2 (0.56) KDM4ESMN1; SMN2ADRB2ALDH1A1MCHR1
SCHEMBL1394072 0.77 HRH3 (0.59) KDM4EADRB2ALDH1A1HRH3MEN1
SCHEMBL21338488 0.76 KDM4E (0.64) KDM4ESMN1; SMN2ADRB2ALDH1A1MEN1
SCHEMBL322766 0.75 KCNH2 (0.47) SLC6A2SLC6A4SLC6A3MCHR1HTR1A
SCHEMBL30357881 0.74 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL14956613 0.74 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL322114 0.74 HRH3 (0.56) KDM4EALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL10190100 0.74 ADRB2 (0.53) KDM4ESMN1; SMN2ADRB2ALDH1A1MCHR1

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 KDM4E 453/4885SMN1; SMN2 1767/4885ADRB2 184/4885

“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.