SCHEMBL10244583

SCHEMBL10244583

C=C(C)OC(=O)N1CC(Oc2ccc(CN3CCCC3)c(F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
MCHR1 Q99705 5/20 0.51
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KCNH2 Q12809 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
POLB P06746 2/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL10242878 0.93 MCHR1 (0.59) ADRB2MCHR1MTNR1BALDH1A1KDM4E
SCHEMBL10190100 0.84 ADRB2 (0.53) ADRB2MCHR1MTNR1BALDH1A1KDM4E
SCHEMBL321217 0.84 ADRB2 (0.56) ADRB2MCHR1MTNR1BALDH1A1KDM4E
SCHEMBL327335 0.79 MCHR1 (0.67) ADRB2MCHR1MTNR1BALDH1A1KDM4E
SCHEMBL10190094 0.79 MCHR1 (0.59) ADRB2MCHR1MTNR1BALDH1A1KCNH2
SCHEMBL322044 0.73 MCHR1 (0.87) MCHR1KCNH2HRH3
SCHEMBL321563 0.73 KDM4E (0.52) ADRB2MCHR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL322063 0.72 MCHR1 (0.86) MCHR1KCNH2
SCHEMBL10263960 0.71 MCHR1 (0.76) MCHR1KCNH2
SCHEMBL321388 0.68 MCHR1 (1.00) MCHR1KCNH2HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADRB2 184/4885MCHR1 9/4885MTNR1B 48/4885

“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.