SCHEMBL242797

SCHEMBL242797

C1CC[C@H]2NCCC[C@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 3/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
EPAS1 Q99814 1/20 0.42
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
PKM P14618 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
SCHEMBL13612540 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL26722446 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL12699779 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL4189941 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL90804 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL8825950 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL13447 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL166482 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL14621027 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1
SCHEMBL937629 1.00 MBTD1 (0.44) MBTD1L3MBTL3EPAS1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262233-A1 SYNTHESIS OF PREFFERED ISOMER FRACTIONS OF N, N-DIETHYLDECAHYDROQUINOLINIUM CATION CHEVRON U.S.A. INC. 2008-10-23 US claimed
WO-2008048858-A2 SYNTHESIS OF PREFERRED ISOMER FRACTIONS OF N,N-DIETHYLDECAHYDROQUINOLINIUM CATION CHEVRON U.S.A. INC. (US) 2008-04-24 WO claimed
CN-107628998-B Preparation method of lepadin alkaloid synthetic intermediate 四川大学 2021-01-15 CN disclosed
CN-107628998-B Preparation method of lepadin alkaloid synthetic intermediate 四川大学 2021-01-15 CN disclosed
US-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-02-01 US disclosed
US-9656988-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-05-23 US disclosed
CN-106458825-A Novel method for producing 1,3-di-substituted-cyclobutane-1,2,3,4-tetracarboxylic acid and dianhydride of said acid 日产化学工业株式会社 2017-02-22 CN disclosed
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. 2016-12-08 US disclosed
US-9382246-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2016-07-05 US disclosed
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-06-11 US disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
US-4415353-A A DICHLOROACETAMIDE AS PLANT SAFENING AGENT FOR THIOCARBAMATES STAUFFER CHEMICAL COMPANY (US) 1983-11-15 US disclosed
US-4392884-A CONTAINING PLANT SAFENING AGENTS STAUFFER CHEMICAL COMPANY (US) 1983-07-12 US disclosed
US-4341550-A THIOLCARBAMATE WITH PLANT SAFENING AGENT STAUFFER CHEMICAL COMPANY (US) 1982-07-27 US disclosed
US-4276078-A HALOGENATED AMIDE ANTIDOTES FOR THIOCARBAMYL HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1981-06-30 US disclosed
US-4269618-A COMPRISING A THIOLCARBAMATE AND AN ANTIDOTE OF A HALOALKYLAMIDO COMPOUND; COATING CROP SEEDS; APPLYING TO THE SOIL STAUFFER CHEMICAL COMPANY (US) 1981-05-26 US disclosed
US-4137070-A CONTAINING HERBICIDAL ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1979-01-30 US disclosed
US-4124376-A HALOACETANILIDE HERBICIDE AND HALO-N,N-BISALKENYLAMIDE NONPHYTOTOXIC ANTIDOTE STAUFFER CHEMICAL COMPANY (US) 1978-11-07 US disclosed
US-4021224-A THIOCARBAMATE, WEED PEST CONTROL, ANTIDOTES STAUFFER CHEMICAL COMPANY (US) 1977-05-03 US disclosed
US-3941579-A Regulating the growth of plants and controlling weeds with carbonyl-substituted azabicycloalkanes CIBA-GEIGY CORPORATION (US) 1976-03-02 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 (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-20180030027-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK MBTD1 929/4885L3MBTL3 1590/4885EPAS1 3042/4885
US-20080262233-A1 SYNTHESIS OF PREFFERED ISOMER FRACTIONS OF N, N-DIETHYLDECAHYDROQUINOLINIUM CATION DDAH1, HCN2, HCN1 MBTD1 3920/4885L3MBTL3 4192/4885EPAS1 2241/4885
US-20160355498-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK MBTD1 961/4885L3MBTL3 1629/4885EPAS1 3153/4885
US-20150158865-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK MBTD1 961/4885L3MBTL3 1629/4885EPAS1 3153/4885

“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.