SCHEMBL321919

SCHEMBL321919

O=C(O)N1CC(Sc2ccc(C(=O)N3CCCC3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 1/20 0.50
RAB9A P51151 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL3 Q96JM7 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MBTD1 Q05BQ5 2/20 0.45
MLYCD O95822 1/20 0.45
USP2 O75604 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL10190197 0.81 KMT2A (0.58) HPGDALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL326964 0.81 HPGD (0.56) HPGDALDH1A1MAPK1RAB9ALMNA
SCHEMBL2743918 0.78 HPGD (0.53) HPGDALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL26966767 0.78 GRIN2B (0.45) KMT2A
SCHEMBL18214923 0.77 GRIN1 (0.43) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL322113 0.77 TSHR (0.43) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2418001 0.76 RIPK1 (0.48) HPGDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL16422920 0.76 GRIN2B (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1HTT
SCHEMBL3300855 0.76 HPGD (0.73) HPGDALDH1A1MAPK1RAB9ALMNA
SCHEMBL10721733 0.75 HPGD (0.95) HPGDALDH1A1MAPK1LMNAMEN1

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 HPGD 142/4885ALDH1A1 338/4885MAPK1 1898/4885

“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.