SCHEMBL320886

SCHEMBL320886

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.57
KCNH2 Q12809 5/20 0.57
OXTR P30559 2/20 0.39
AVPR1A P37288 1/20 0.39
PDE4B Q07343 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
RBP4 P02753 2/20 0.33
MMP9 P14780 1/20 0.32
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32

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
Formic Acid SCHEMBL320885 0.85 MCHR1 (0.61) MCHR1KCNH2OXTRAVPR1AOPRM1
SCHEMBL10190058 0.84 KCNH2 (0.57) MCHR1KCNH2PDE4B
SCHEMBL28054988 0.83 KCNH2 (0.55) MCHR1KCNH2OXTRAVPR1APDE4B
SCHEMBL322048 0.73 MCHR1 (0.86) MCHR1KCNH2
SCHEMBL321120 0.73 MCHR1 (1.00) MCHR1KCNH2
Tert-Butyl Formate SCHEMBL28054989 0.72 KCNH2 (0.42) MCHR1KCNH2
SCHEMBL327249 0.72 KCNH2 (0.47) MCHR1KCNH2
SCHEMBL10190043 0.68 UTS2R (0.44) MCHR1KCNH2PDE4BUTS2R
SCHEMBL322400 0.67 UTS2R (0.47) MCHR1KCNH2UTS2R
SCHEMBL322856 0.67 PDE4B (0.45) MCHR1KCNH2PDE4BUTS2R

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 9/4885KCNH2 1628/4885OXTR 402/4885

“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.