SCHEMBL327185

SCHEMBL327185

Cc1cc(CN2CCCC2)ccc1OC1CNC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.49
CRHR2 Q13324 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
SLC6A4 P31645 1/20 0.41
DRD4 P21917 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1394218 0.90 CRHBP (0.47) CRHBPCRHR2SMN1; SMN2MAPTALDH1A1
SCHEMBL1393671 0.88 HTT (0.51) CRHBPCRHR2SMN1; SMN2MAPTALDH1A1
SCHEMBL16161556 0.79 KCNH2 (0.46) CRHBPCRHR2SMN1; SMN2ALDH1A1CD274
SCHEMBL1394072 0.77 HRH3 (0.59) ALDH1A1HRH3KDM4E
SCHEMBL327249 0.76 KCNH2 (0.47) SLC6A4
SCHEMBL22170451 0.76 SLC6A4 (0.45) SLC6A4
SCHEMBL3378205 0.76 HRH3 (0.56) CRHBPCRHR2SMN1; SMN2MAPTHRH3
Hydrochloric Acid SCHEMBL3414441 0.75 HRH3 (0.55) CRHBPCRHR2SMN1; SMN2MAPTHRH3
Hydrochloric Acid SCHEMBL3414444 0.75 HRH3 (0.55) CRHBPCRHR2SMN1; SMN2MAPTHRH3
SCHEMBL322856 0.74 PDE4B (0.45) CRHBPCRHR2SMN1; SMN2KDM4EMAPK1

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 CRHBP 591/4885CRHR2 149/4885SMN1; SMN2 1767/4885

“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.