SCHEMBL322065

SCHEMBL322065

CN1CCN(Cc2ccc(OC3CNC3)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.52
ADRB2 P07550 1/20 0.45
MPO P05164 1/20 0.43
NR1H2 P55055 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CTSK P43235 1/20 0.39
CTSC P53634 1/20 0.39
MTNR1B P49286 1/20 0.39
RORC P51449 1/20 0.39
SOS1 Q07889 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
SCHEMBL321563 0.88 KDM4E (0.52) MCHR1ADRB2HRH3SLC6A2SLC6A4
SCHEMBL321264 0.85 SLC6A2 (0.54) MCHR1NR1H2HRH3SLC6A2SLC6A4
SCHEMBL327335 0.80 MCHR1 (0.67) MCHR1ADRB2KDM4EALDH1A1CTSK
SCHEMBL1394116 0.80 KDM4E (0.54) MCHR1ADRB2KDM4EALDH1A1MTNR1B
SCHEMBL10242878 0.76 MCHR1 (0.59) MCHR1ADRB2HRH3KDM4EALDH1A1
SCHEMBL10190094 0.76 MCHR1 (0.59) MCHR1ADRB2HRH3ALDH1A1TLR7
SCHEMBL322766 0.75 KCNH2 (0.47) MCHR1SLC6A2SLC6A4SLC6A3
SCHEMBL15542251 0.74 NR1H2 (0.67) MPONR1H2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL10819382 0.73 KDM4E (0.70) MPONR1H2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL321297 0.72 NR1H2 (0.45) NR1H2HRH3SLC6A2SLC6A4SLC6A3

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 MCHR1 9/4885ADRB2 184/4885MPO 426/4885

“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.