SCHEMBL170249

SCHEMBL170249

C1CCN(N2CCOCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
MGLL Q99685 2/20 0.40
ALDH1A1 P00352 2/20 0.38
CA12 O43570 4/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.34
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
CA2 P00918 2/20 0.33
TTR P02766 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32

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
SCHEMBL5526972 0.97 TSHR (0.44) TSHRMGLLALDH1A1CA12CA7
SCHEMBL1582709 0.97 TSHR (0.44) TSHRMGLLALDH1A1CA12CA7
SCHEMBL718510 0.97 TSHR (0.44) TSHRMGLLALDH1A1CA12CA7
Hydrochloric Acid SCHEMBL28974479 0.94 TSHR (0.42) TSHRMGLLALDH1A1CA12CA7
SCHEMBL6300105 0.93 TSHR (0.43) TSHRMGLLALDH1A1CA12CA7
SCHEMBL31348042 0.90 ALDH1A1 (0.44) TSHRMGLLALDH1A1CA12CA7
SCHEMBL236146 0.89 MGLL (0.47) TSHRMGLLALDH1A1CA12CA7
Hydrochloric Acid SCHEMBL28019904 0.85 MGLL (0.44) TSHRMGLLALDH1A1CA12CA7
SCHEMBL19878897 0.85
SCHEMBL5866410 0.82 TSHR (0.34) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101542-A1 ERAP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2024-03-28 US claimed
EP-4263533-A1 ERAP INHIBITORS Université de Lille (FR) 2023-10-25 EP claimed
WO-2022129589-A9 ERAP INHIBITORS UNIVERSITE DE LILLE (FR) 2023-08-24 WO claimed
WO-2022129589-A1 ERAP INHIBITORS UNIVERSITE DE LILLE (FR) 2022-06-23 WO claimed
US-10221172-B2 Benzothiazole and benzisothiazole-substituted compounds as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2019-03-05 US claimed
US-20180022744-A1 BENZOTHIAZOLE AND BENZISOTHIAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2018-01-25 US claimed
WO-2016115272-A1 BENZOTHIAZOLE AND BENZISOTHIAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2016-07-21 WO claimed
WO-2015173321-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A PARTICULAR IMIDAZOLE COUPLER AND AN OXIDATION BASE L'OREAL (FR) 2015-11-19 WO claimed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP claimed
US-8569291-B2 Bicyclic dihydroimidazolone CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-29 US claimed
EP-1073641-B1 NEW SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2004-04-14 EP claimed
WO-2004009563-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR INOTEK PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO claimed
US-20040019208-A1 5-Aryltetrazole Compounds, compositions thereof, and uses therefor INOTEK PHARMACEUTICALS CORPORATION 2004-01-29 US claimed
EP-0362119-B1 IMPROVED PROCESS FOR THE CATALYZED SYNTHESIS OF N-SUBSTITUTED ACRYLAMIDES AND METHACRYLAMIDES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-07-28 EP claimed
EP-0213718-B1 1-DIMETHYLCARBAMOYL-3-SUBSTITUTED-5-SUBSTITUTED-1H-1,2,4-TRIAZOLES ROHM AND HAAS COMPANY (US) 1991-06-12 EP claimed
EP-0213718-A2 1-Dimethylcarbamoyl-3-substituted-5-substituted-1H-1,2,4-triazoles ROHM AND HAAS COMPANY (US) 1987-03-11 EP claimed
EP-0099802-B1 THIENO(3,2-C) PYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE ELF SANOFI (FR) 1987-02-04 EP claimed
US-4540523-A Phenylalkylamino-styryl dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US claimed
EP-0029617-B1 USE OF TERTIARY HETEROCYCLIC AMINES AS SYNERGISTS IN PESTICIDES; DERIVATIVES OF CYCLOAMINES C.F. Spiess & Sohn GmbH & Co. Chemische Fabrik (DE) 1984-09-12 EP claimed
EP-0068968-A1 Medicines containing as active ingredients compounds of the arylbenzenesulfonamide-type, and processes for their preparation CHOAY S.A. (FR) 1983-01-05 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20240101542-A1 ERAP INHIBITORS ERAP2, ERAP1, ERMP1 TSHR 3799/4885MGLL 2989/4885ALDH1A1 2756/4885
US-20180022744-A1 BENZOTHIAZOLE AND BENZISOTHIAZOLE-SUBSTITUTED COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIK4, GRIA4 TSHR 604/4885MGLL 3293/4885ALDH1A1 3825/4885
US-10221172-B2 Benzothiazole and benzisothiazole-substituted compounds as mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction GRM4, GRIK4, GRIA4 TSHR 604/4885MGLL 3293/4885ALDH1A1 3825/4885
US-20040019208-A1 5-Aryltetrazole Compounds, compositions thereof, and uses therefor CASP5, NLRP3, LITAF TSHR 2397/4885MGLL 553/4885ALDH1A1 944/4885

“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.