SCHEMBL937629

SCHEMBL937629

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
SCHEMBL242797 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

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 53 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-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-05-31 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
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-5916899-A SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. TREGA BIOSCIENCES, INC. (US) 1999-06-29 US disclosed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US disclosed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN disclosed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP 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 (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-20180148457-A1 FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS CAMK1, CAMKK1, CAMK1D MBTD1 2128/4885L3MBTL3 3157/4885EPAS1 818/4885
US-20080262233-A1 SYNTHESIS OF PREFFERED ISOMER FRACTIONS OF N, N-DIETHYLDECAHYDROQUINOLINIUM CATION DDAH1, HCN2, HCN1 MBTD1 3920/4885L3MBTL3 4192/4885EPAS1 2241/4885

“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.