SCHEMBL164405

SCHEMBL164405

CCOC(=O)c1nnc(-c2ccc(OC(F)F)cc2)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
POLB P06746 4/20 0.58
LMNA P02545 2/20 0.58
TARBP2 Q15633 2/20 0.48
PDCD4 Q53EL6 1/20 0.48
MAPT P10636 4/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
SMPD1 P17405 1/20 0.46

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
SCHEMBL163935 0.85 CA1 (0.68) CA1CA2POLBTARBP2PDCD4
SCHEMBL11485622 0.84 CA1 (0.67) CA1CA2POLBLMNATARBP2
SCHEMBL167291 0.83 CA1 (0.68) CA1CA2POLBLMNATARBP2
SCHEMBL326764 0.83 CA1 (0.71) CA1CA2POLBTARBP2PDCD4
SCHEMBL27851526 0.83 KCNH2 (0.49) POLBLMNAMAPTHSD17B10ALDH1A1
SCHEMBL28501879 0.80 CA1 (0.68) CA1CA2POLBLMNATARBP2
SCHEMBL7865590 0.80 CA1 (0.72) CA1CA2POLBLMNATARBP2
SCHEMBL165878 0.80 POLB (0.76) CA1CA2POLBLMNATARBP2
SCHEMBL31049616 0.80 CA1 (0.68) CA1CA2POLBTARBP2PDCD4
SCHEMBL22658109 0.80 TARBP2 (0.51) POLBLMNATARBP2PDCD4HSD17B10

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP disclosed
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
EP-2424870-A1 THERAPEUTIC AGENTS 713 AstraZeneca AB (SE) 2012-03-07 EP disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US 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
WO-2010125390-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 WO disclosed
WO-2010125390-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 WO disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 US disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 US disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 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 (2 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-20100280000-A1 THERAPEUTIC AGENTS 713 MC1R, MC2R, MC3R CA1 2214/4885CA2 2731/4885POLB 3052/4885
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 CA1 4828/4885CA2 4291/4885POLB 2885/4885

“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.