SCHEMBL5515422

SCHEMBL5515422

NNC(=O)C1CCCCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
EPHX1 P07099 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
HSD11B1 P28845 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL5519104 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL5527291 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL5520084 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL5525101 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL5511001 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL14823816 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL23192018 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL293980 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL14823812 1.00 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL21441786 0.97 HDAC8 (0.58) HDAC8HDAC6EPHX1CES2CES1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2023-02-23 US disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9636335-B2 Heteroaryl compounds as 5-HT4 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2017-05-02 US disclosed
EP-1674526-B9 POLYACETAL RESIN COMPOSITION POLYPLASTICS CO (JP) 2013-05-29 EP disclosed
EP-1674526-B1 POLYACETAL RESIN COMPOSITION POLYPLASTICS CO (JP) 2012-12-05 EP disclosed
US-20070032605-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-02-08 US disclosed
EP-1674526-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-06-28 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 (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-20230054411-A1 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE ADORA2A, ADORA2B, ADORA3 HDAC8 1331/4885HDAC6 2740/4885EPHX1 2030/4885

“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.