SCHEMBL1908586

SCHEMBL1908586

CC(=O)CN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
ALDH1A1 P00352 7/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 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
SCHEMBL12226479 1.00 GAA (0.56) GAAALDH1A1HTTSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2672515 0.97 ALDH1A1 (0.59) GAAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL514070 0.97
Hydrochloric Acid SCHEMBL5552935 0.95 ALDH1A1 (0.55) GAAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL1908554 0.92
SCHEMBL8060957 0.86 NPSR1 (0.46) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL12909322 0.86
SCHEMBL13165521 0.86 NPSR1 (0.46) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL13527664 0.86 NPSR1 (0.46) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL22815172 0.81 HSD17B10 (0.47) GAAALDH1A1HTTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP claimed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO claimed
WO-2023247593-A1 PYRROLOPYRIDINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
WO-2023250513-A1 13-MEMBERED MACROLIDE COMPOUNDS FOR TREATING DISEASES MEDIATED BY ABNORMAL PROTEIN TRANSLATION ZIKANI THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-12-29 US disclosed
US-11185514-B2 Aqueous solution comprising a polyphenol OPTERION HEALTH AG (CH) 2021-11-30 US disclosed
EP-3889152-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 EP disclosed
US-11026936-B2 Piperidinyl-propanone derivatives MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
US-11026936-B2 Piperidinyl-propanone derivatives MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
CN-108779093-B N1- (3,3, 3-trifluoro-2-hydroxy-2-methylpropionyl) -piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase 默克专利股份公司 2021-03-09 CN disclosed
WO-2020207260-A1 CDK INHIBITOR AND APPLICATION THEREOF 珠海宇繁生物科技有限责任公司 2020-10-15 WO disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 US disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 WO disclosed
WO-2005004865-A1 USE OF 5-HT4(A)-SEROTONIN RECEPTOR AGONISTS GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN (DE) 2005-01-20 WO disclosed
EP-0068866-B1 METHOD OF MANUFACTURING ACETONE OR METHYL ETHYL KETONE TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1985-07-24 EP disclosed
US-4481373-A CATALYTIC OXIDATION OF OLEFINS IN PRESENCE OF TERTIARY AMINE OF AMIDE TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1984-11-06 US disclosed
EP-0068866-A1 Method of manufacturing acetone or methyl ethyl ketone TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1983-01-05 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 (5 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-11026936-B2 Piperidinyl-propanone derivatives PDK2, PDK3, PDK1 GAA 1192/4885ALDH1A1 115/4885HTT 2169/4885
US-11185514-B2 Aqueous solution comprising a polyphenol SORD, SI, AQP1 GAA 363/4885ALDH1A1 602/4885HTT 374/4885
US-20220411426-A1 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF IDE, SI, GPR119 GAA 16/4885ALDH1A1 1111/4885HTT 533/4885
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl SCN1B, CACNA1B, SCN2A GAA 4181/4885ALDH1A1 2549/4885HTT 754/4885
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders ADORA2A, ADORA3, ADORA1 GAA 3099/4885ALDH1A1 2843/4885HTT 1019/4885

“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.