SCHEMBL10514

SCHEMBL10514

CCCC(=O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.50
GNAI1 P63096 6/20 0.50
GNAO1 P09471 5/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRNB3 Q05901 2/20 0.50
CHRNA6 Q15825 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.44
CHKA P35790 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42

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
Hydrochloric Acid SCHEMBL2578850 0.98 GNAI3 (0.53) GNAI3GNAI1GNAO1CHRNB2CHRNA3
SCHEMBL7976889 0.92 L3MBTL1 (0.52) GNAI3GNAI1GNAO1CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL23778449 0.91 L3MBTL1 (0.50) GNAI3GNAI1GNAO1CHRNB2CHRNA3
SCHEMBL10617306 0.88 CHRNB2 (0.52) GNAI3GNAI1GNAO1CHRNB2CHRNA3
SCHEMBL2998705 0.88 L3MBTL1 (0.60) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL1073791 0.86 L3MBTL1 (0.69) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL6536788 0.84 GNAI3 (0.69) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL3601270 0.84 GNAI3 (0.69) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL8973060 0.84 GNAI3 (0.69) GNAI3GNAI1GNAO1L3MBTL1MEN1
SCHEMBL23533349 0.84 GNAI3 (0.69) GNAI3GNAI1GNAO1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752277-A A kind of 1-(3- methyl-1s-phenyl -1H- pyrazoles -5- bases)The safe preparation method of piperazine 浙江理工大学 2018-11-06 CN claimed
US-8530650-B2 2, 5-diamino-substituted pyrido [4, 3-D] pyrimidines as autotaxin inhibitors against cancer MERCK PATENT GMBH (DE) 2013-09-10 US claimed
EP-2352732-B1 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2013-02-20 EP claimed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 US claimed
WO-2024026260-A1 SUBSTITUTED IMIDAZOPYRAZINE COMPOUNDS AS IRAK3 BINDERS CELGENE CORPORATION (US) 2024-02-01 WO disclosed
EP-3983404-B1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHBITORS LILLY CO ELI (US) 2023-08-09 EP disclosed
CN-112424171-B Method for synthesizing sitagliptin and intermediate thereof through biocatalysis 北京富盛嘉华医药科技有限公司 2023-02-28 CN disclosed
US-11459549-B2 Method for biocatalytic synthesis of Sitagliptin and intermediate thereof CHINA FORTUNE WAY COMPANY (CN) 2022-10-04 US disclosed
WO-2022148821-A1 USP7 BINDING SURVIVAL-TARGETING CHIMERIC (SURTAC) MOLECULES & USES THEREOF LOCKI THERAPEUTICS LIMITED (GB) 2022-07-14 WO disclosed
CN-113214102-A Amine-containing transfection reagents and methods of making and using same 生命技术公司 2021-08-06 CN disclosed
CN-113179590-A Etching solution, replenishment solution, and method for forming copper wiring MEC股份有限公司 2021-07-27 CN disclosed
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
EP-1748044-A1 THIAZOLE COMPOUND AND USE THEREOF Otsuka Pharmaceutical Company, Limited (JP) 2007-01-31 EP disclosed
US-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2005-03-31 US disclosed
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO disclosed
EP-1214287-A1 AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017942-A1 AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE ASTRAZENECA AB (SE) 2001-03-15 WO disclosed
CN-1056842-C Amino acid derivative having anti CCK activity TOBISHI PHARMACEUTICAL CO (JP) 2000-09-27 CN disclosed
US-5773186-A CONTAINING DIAZO COMPOUND AND A COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1998-06-30 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 (3 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-20050070559-A1 Use of oxindole derivatives in the treatment of dementia related diseases, alzheimer's disease and conditions associated with glycogen synthase kinase-3 GSK3A, GSK3B, PYGB GNAI3 423/4885GNAI1 703/4885GNAO1 601/4885
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER ENPP2, PLA2G4A, PLA2G4B GNAI3 1577/4885GNAI1 1416/4885GNAO1 1123/4885
US-11459549-B2 Method for biocatalytic synthesis of Sitagliptin and intermediate thereof DPP4, SI, DPP9 GNAI3 3589/4885GNAI1 3734/4885GNAO1 3609/4885

“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.