SCHEMBL327335

SCHEMBL327335

CN1CCN(Cc2ccc(OC3CN(C(=O)O)C3)cc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.67
ADRB2 P07550 1/20 0.51
ALDH1A1 P00352 4/20 0.46
MTNR1B P49286 2/20 0.45
KCNH2 Q12809 2/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PRKX P51817 1/20 0.39
IKBKE Q14164 1/20 0.39
HTR2A P28223 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
SCHEMBL321217 0.90 ADRB2 (0.56) MCHR1ADRB2ALDH1A1MTNR1BKCNH2
SCHEMBL10242878 0.86 MCHR1 (0.59) MCHR1ADRB2ALDH1A1MTNR1BKCNH2
SCHEMBL10190094 0.86 MCHR1 (0.59) MCHR1ADRB2ALDH1A1MTNR1BKCNH2
SCHEMBL322333 0.81 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL322065 0.80 MCHR1 (0.52) MCHR1ADRB2ALDH1A1MTNR1BCTSK
SCHEMBL326893 0.80 MCHR1 (0.63) MCHR1ADRB2ALDH1A1MTNR1BKCNH2
SCHEMBL321809 0.79 MCHR1 (0.62) MCHR1ADRB2KCNH2HTR2A
SCHEMBL321388 0.79 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL10244583 0.79 ADRB2 (0.52) MCHR1ADRB2ALDH1A1MTNR1BKCNH2
SCHEMBL10264311 0.78 MCHR1 (0.89) MCHR1KCNH2

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 5 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
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
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 184/4885ALDH1A1 338/4885

“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.