SCHEMBL1286680

SCHEMBL1286680

CCCN1C(C)CCCC1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.39
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ACHE P22303 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL19074420 1.00 HRH3 (0.39) HRH3MAOBALDH1A1LTA4HHRH2
SCHEMBL12371259 0.89 HTR1A (0.36) HRH3MAOBALDH1A1HRH2HRH1
SCHEMBL12841670 0.89 HTR1A (0.36) HRH3MAOBALDH1A1HRH2HRH1
SCHEMBL14406225 0.85 HRH3 (0.44) HRH3MAOBLTA4HHRH2HRH1
SCHEMBL16596865 0.83 HRH3 (0.43) HRH3MAOBHRH2HRH1
SCHEMBL31094669 0.81 EBP (0.42) HRH3MAOBHRH2HRH1
SCHEMBL16596870 0.81 EBP (0.42) HRH3MAOBHRH2HRH1
SCHEMBL29564435 0.81 EBP (0.42) HRH3MAOBHRH2HRH1
SCHEMBL19275137 0.81 EBP (0.42) HRH3MAOBHRH2HRH1
SCHEMBL11587019 0.81 EBP (0.42) HRH3MAOBHRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110510635-A A kind of Cu-SSZ-39 molecular sieve and its preparation method and application RES CT FOR ECO ENVIRONMENTAL SCIENCES CAS 2019-11-29 CN claimed
CN-106745031-B A kind of high silica alumina ratio SSZ-39 zeolite and its synthesis and application 中海亚环保材料有限公司 2019-05-10 CN claimed
CN-106622359-B A kind of SSZ-39/ZSM-5 composite molecular screen and its synthetic method and application 中触媒新材料股份有限公司 2019-03-08 CN claimed
CN-106745057-B The AEI/MFI eutectics Si-Al molecular sieve and synthetic method of a kind of binder free and application 中触媒新材料股份有限公司 2018-11-13 CN claimed
EP-3286163-A1 METHOD FOR PREPARING STRUCTURED DIRECTING AGENT Johnson Matthey Public Limited Company (GB) 2018-02-28 EP claimed
US-20180016231-A9 METHOD FOR PREPARING STRUCTURED DIRECTING AGENT JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-01-18 US claimed
WO-2016172128-A1 METHOD FOR PREPARING STRUCTURED DIRECTING AGENT JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2016-10-27 WO claimed
US-20160304457-A1 METHOD FOR PREPARING STRUCTURED DIRECTING AGENT JOHNSON MATTHEY PLC (GB) 2016-10-20 US claimed
CN-116574050-A Method for producing structure-directing agents 庄信万丰股份有限公司 2023-08-11 CN disclosed
WO-2020223306-A1 PIM KINASE INHIBITOR COMPOSITIONS AND USES THEREOF SNAP BIO, INC. (US) 2020-11-05 WO disclosed
CN-110510635-A A kind of Cu-SSZ-39 molecular sieve and its preparation method and application RES CT FOR ECO ENVIRONMENTAL SCIENCES CAS 2019-11-29 CN disclosed
CN-110467200-A A kind of Cu-SSZ-39 molecular sieve and its preparation method and application RES CT FOR ECO ENVIRONMENTAL SCIENCES CAS 2019-11-19 CN disclosed
CN-110392607-A Transition metal-supported zeolite, method for producing same, catalyst for nitrogen oxide purification, and method for using same 三菱化学株式会社 2019-10-29 CN disclosed
CN-107074569-B AEI-type zeolites, methods of making, and uses thereof 三菱化学株式会社 2019-09-13 CN disclosed
WO-2008012413-A2 PYRIMIDINONE DERIVATIVES AND THEIR USE AS A DRUG SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2008-01-31 WO disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO 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 (2 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-20180016231-A9 METHOD FOR PREPARING STRUCTURED DIRECTING AGENT SDAD1, ARSA, STS HRH3 1783/4885MAOB 3483/4885ALDH1A1 1839/4885
US-20160304457-A1 METHOD FOR PREPARING STRUCTURED DIRECTING AGENT SDAD1, ARSA, STS HRH3 1783/4885MAOB 3483/4885ALDH1A1 1839/4885

“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.