SCHEMBL517599

SCHEMBL517599

Cc1ccc(/C=C\C(N)=O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.46
CHRNA7 P36544 6/20 0.44
TYR P14679 2/20 0.44
TRPA1 O75762 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DDAH1 O94760 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
SCHEMBL2130414 0.84 CYP1A1 (0.54) PELI1LMNAMAPTKDM4EMEN1
SCHEMBL11837763 0.84 CA1 (0.56) CHRNA7TYRLMNAMAPTKDM4E
SCHEMBL8140673 0.84 CYP1A1 (0.54) PELI1LMNAMAPTKDM4EMEN1
SCHEMBL31683137 0.84 CA1 (0.56) CHRNA7TYRLMNAMAPTKDM4E
SCHEMBL28008787 0.82 PELI1 (0.43) PELI1LMNAMAPTKDM4EMEN1
SCHEMBL14007608 0.82 PELI1 (0.43) PELI1LMNAMAPTKDM4EMEN1
SCHEMBL617300 0.81 CHRNA7 (0.64) PELI1CHRNA7TYR
SCHEMBL617301 0.81 CHRNA7 (0.64) PELI1CHRNA7TYR
SCHEMBL26316886 0.81 NFE2L2 (0.47) PELI1DDAH1
SCHEMBL10190857 0.80 TRPA1 (0.56) TYRTRPA1LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4066085-A None JP disclosed
US-12246014-B2 Azetidine derivatives LIGAND UK DEVELOPMENT LIMITED (GB) 2025-03-11 US disclosed
US-10918640-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2021-02-16 US disclosed
US-10383871-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2019-08-20 US disclosed
US-20170196864-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-9475800-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2016-10-25 US disclosed
EP-2265578-B1 AZETIDINE DERIVATIVES VERNALIS R&D LTD (GB) 2015-09-16 EP disclosed
US-20150183769-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2015-07-02 US disclosed
US-9006269-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2015-04-14 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20070155707-A1 IONIZABLE INHIBITORS OF FATTY ACID AMIDE HYDROLASE KADMUS PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
EP-0905142-B1 Inhibitors against prostate-specific antigen JAPAN CHEM RES (JP) 2002-08-14 EP disclosed
US-6284734-B1 NONAPEPTIDE JCR PHARMACEUTICALS CO., LTD. (JP) 2001-09-04 US disclosed
EP-0905142-A1 Inhibitors against prostate-specific antigen JCR PHARMACEUTICALS CO., LTD. (JP) 1999-03-31 EP disclosed
US-5750650-A AQUEOUS EXTRACT OF CULTURE OF BACILLUS HONDA TRADING CORPORATION (JP) 1998-05-12 US disclosed
JP-H0466085-A PROLYL ENDOPERPTIDASE AND PRODUCTION THEREOF YAKULT HONSHA CO LTD 1992-03-02 JP disclosed
EP-0080649-B1 METHOD FOR DETERMINING BACTERIAL ENDOTOXIN AND KIT THEREFOR Seikagaku Kogyo Co. Ltd. (JP) 1985-08-07 EP disclosed
US-4495294-A AMOEBOCYTE LYSATE COMPONENT TREATED WITH ACID SEIKAGAKU KOGYO CO., LTD. (JP) 1985-01-22 US disclosed
EP-0080649-A1 Method for determining bacterial endotoxin and kit therefor Seikagaku Kogyo Co. Ltd. (JP) 1983-06-08 EP 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 (6 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-10918640-B2 Azetidine derivatives FAAH2, FAAH, APEH PELI1 2873/4885CHRNA7 1442/4885TYR 769/4885
US-12246014-B2 Azetidine derivatives FAAH2, FAAH, APEH PELI1 2686/4885CHRNA7 1495/4885TYR 1071/4885
US-20150183769-A1 Azetidine Derivatives FAAH2, FAAH, APEH PELI1 3021/4885CHRNA7 1408/4885TYR 734/4885
US-20070155707-A1 IONIZABLE INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, NAAA PELI1 3488/4885CHRNA7 1341/4885TYR 3401/4885
US-20170196864-A1 Azetidine Derivatives FAAH2, FAAH, APEH PELI1 2873/4885CHRNA7 1442/4885TYR 769/4885
US-10383871-B2 Azetidine derivatives FAAH2, FAAH, APEH PELI1 2873/4885CHRNA7 1442/4885TYR 769/4885

“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.