SCHEMBL3307691

SCHEMBL3307691

CCC(CC)N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HRH3 Q9Y5N1 14/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL19334589 0.97 SLC6A4 (0.39) SLC6A4SLC6A3HRH3KDM4EALDH1A1
SCHEMBL3309623 0.97 SLC6A4 (0.39) SLC6A4SLC6A3HRH3KDM4EALDH1A1
Water SCHEMBL28471103 0.94 SLC6A3 (0.38) SLC6A4SLC6A3HRH3KDM4EALDH1A1
SCHEMBL24740634 0.94
SCHEMBL8215870 0.87 HRH3 (0.41) HRH3KDM4EALDH1A1TP53TDP1
SCHEMBL11570613 0.87
SCHEMBL10324582 0.85 SLC6A4 (0.34) SLC6A4SLC6A3HRH3
SCHEMBL2493041 0.84 SLC6A3 (0.39) SLC6A4SLC6A3HRH3KDM4EALDH1A1
SCHEMBL4035791 0.84 SLC6A4 (0.36) SLC6A4SLC6A3
SCHEMBL2229569 0.84 SLC6A3 (0.37) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635228-A Surface protective film 日东电工株式会社 2023-08-22 CN disclosed
WO-2022171128-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE SERVING AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-18 WO disclosed
US-11413682-B2 Method for producing surface-modified metal oxide fine particle, method for producing improved metal oxide fine particles, surface-modified metal oxide fine particles, and metal oxide fine particle dispersion liquid TOKYO OHKA KOGYO CO., LTD. (JP) 2022-08-16 US disclosed
US-20200139433-A1 METHOD FOR PRODUCING SURFACE-MODIFIED METAL OXIDE FINE PARTICLE, METHOD FOR PRODUCING IMPROVED METAL OXIDE FINE PARTICLES, SURFACE-MODIFIED METAL OXIDE FINE PARTICLES, AND METAL OXIDE FINE PARTICLE DISPERSION LIQUID TOKYO OHKA KOGYO CO., LTD. (JP) 2020-05-07 US disclosed
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2019-03-07 US disclosed
CN-108727343-A Quinazolinones PARP-1/2 inhibitor containing 3- amino nafoxidines and preparation method thereof, pharmaceutical composition and purposes 中国医学科学院药物研究所 2018-11-02 CN disclosed
CN-108432026-A The application method of electrolyte composition, secondary cell and secondary cell 琳得科株式会社 2018-08-21 CN disclosed
US-9755240-B2 Electrode for sodium molten-salt battery and sodium molten-salt battery SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 2017-09-05 US disclosed
EP-2632255-B1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME (US) 2017-06-21 EP disclosed
EP-2958181-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2017-06-14 EP disclosed
US-7605271-B2 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD (JP) 2009-10-20 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-20080161371-A1 Modulators of cystic fibrosis transmembrane conductance regulator FIRST-CITIZENS BANK & TRUST COMPANY 2008-07-03 US disclosed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP disclosed
WO-2008041090-A1 MALANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONIST PYRIDINONES PFIZER LIMITED (GB) 2008-04-10 WO disclosed
CN-1872935-A Adhesive composition, adhesive sheet and surface-protective film NITTO DENKO CORP (JP) 2006-12-06 CN disclosed
US-20060223995-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-05 US disclosed
EP-1707265-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-04 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SLC6A4 3796/4885SLC6A3 4330/4885HRH3 1935/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SLC6A4 3796/4885SLC6A3 4330/4885HRH3 1935/4885
US-20190070178-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 SLC6A4 909/4885SLC6A3 1076/4885HRH3 4303/4885
US-20080161371-A1 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B SLC6A4 1526/4885SLC6A3 1422/4885HRH3 2946/4885
US-20060223995-A1 Superhigh purity ionic liquid SLC7A5, SLC7A1, SLC43A1 SLC6A4 1865/4885SLC6A3 1035/4885HRH3 709/4885

“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.