SCHEMBL327078

SCHEMBL327078

Cc1cc(CN2CCOCC2)ccc1OC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
KCNH2 Q12809 4/20 0.42
MCHR1 Q99705 4/20 0.42
USP2 O75604 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
PDE4B Q07343 3/20 0.41
TSHR P16473 1/20 0.41
JAK2 O60674 1/20 0.40
MAPT P10636 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL322856 0.91 PDE4B (0.45) KCNH2MCHR1SMN1; SMN2PPARDPPARA
SCHEMBL10190043 0.89 UTS2R (0.44) KCNH2MCHR1SMN1; SMN2PPARDPPARA
SCHEMBL10190058 0.80 KCNH2 (0.57) KCNH2MCHR1PDE4BJAK2PDE4A
SCHEMBL10190036 0.77 MCHR1 (0.63) KCNH2MCHR1SMN1; SMN2MAPT
SCHEMBL16161556 0.76 KCNH2 (0.46) KCNH2MCHR1SMN1; SMN2UTS2R
SCHEMBL326452 0.76 MCHR1 (0.66) KCNH2MCHR1
SCHEMBL1393671 0.76 HTT (0.51) HTTSMN1; SMN2PDE4BTSHRMAPT
SCHEMBL17086719 0.76 NCF1 (0.45) HTTKCNH2USP2SMN1; SMN2
SCHEMBL30368214 0.76 PIK3CA (0.49) HTTUSP2SMN1; SMN2TSHR
SCHEMBL25669120 0.76 PIK3CA (0.49) HTTUSP2SMN1; SMN2TSHR

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 11 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
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
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 HTT 460/4885KCNH2 1628/4885MCHR1 9/4885

“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.