SCHEMBL7136164

SCHEMBL7136164

COC(=O)C(C)CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CA14 Q9ULX7 2/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.34
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESRRB O95718 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 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
SCHEMBL29531381 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14GAACA12CHRNB2
SCHEMBL29531261 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14GAACA12CHRNB2
SCHEMBL7781829 0.87 ALDH1A1 (0.34) SMN1; SMN2GAACA12ALDH1A1HSD17B10
SCHEMBL31462139 0.81 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1HSD17B10TSHR
SCHEMBL11668486 0.79 ALDH1A1 (0.40) SMN1; SMN2GAACA12ALDH1A1HSD17B10
SCHEMBL10736806 0.79 SMN1; SMN2 (0.34) SMN1; SMN2CA14CA12CHRNB2CHRNA4
SCHEMBL8747892 0.77 L3MBTL1 (0.41) SMN1; SMN2CA14GAACA12ALDH1A1
SCHEMBL13307459 0.77 CHRNB2 (0.39) SMN1; SMN2CA14CHRNB2CHRNA4CA1
SCHEMBL10947530 0.77 TSHR (0.43) SMN1; SMN2CA14GAACA12ALDH1A1
SCHEMBL16939082 0.76 SMN1; SMN2 (0.37) SMN1; SMN2CA14GAACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858875-B2 Propenylamines and methods of making and using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-01-02 US disclosed
EP-3084152-B1 FLUORINATED OLEFINS AS WORKING FLUIDS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-05-31 EP disclosed
US-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SENDA BIOSCIENCES INC (US) 2022-02-10 US disclosed
EP-3891751-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION Senda Biosciences, Inc. (US) 2021-10-13 EP disclosed
US-10792361-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-10-06 US disclosed
US-10729775-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-08-04 US disclosed
WO-2020118238-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION KINTAI THERAPEUTICS, INC. (US) 2020-06-11 WO disclosed
EP-3169745-B1 HYDROFLUOROETHER OLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-04-29 EP disclosed
US-10557069-B2 Fluorinated olefins as working fluids and methods of using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-02-11 US disclosed
US-10385249-B2 Hydrofluoroether olefins and methods of using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-08-20 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-6506939-B1 Producing N-substituted acrylamides and tertiary amines CIBA SPECIALTY CHEMICALS WATER TREATMENTS LTD. (GB) 2003-01-14 US disclosed
CN-1345302-A Method for producing acrylic acid monomer CIBA SPEC CHEM WATER TREAT LTD (GB) 2002-04-17 CN disclosed
US-5476934-A Oxidation a nitrogen-containing perfluoroacyl halide AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1995-12-19 US disclosed
US-5380844-A Nitrogen-containing perfluoroalkanoyl peroxide and method for production thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1995-01-10 US disclosed
US-5347002-A Nitrogen-containing perfluoroalkanoyl peroxide and method for production thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1994-09-13 US disclosed
US-5256825-A Promoter for fluoropolymer, heat exchanging AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1993-10-26 US disclosed
US-5208339-A Nitrogen-containing perfluoroalkanoyl peroxide and method for production thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1993-05-04 US disclosed
US-4985556-A INTERMEDIATES AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1991-01-15 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 (6 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-20220041641-A1 QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION SLC10A2, SLC10A1, BCAT2 SMN1; SMN2 2918/4885CA14 1563/4885GAA 899/4885
US-10792361-B2 Lipids and lipid compositions for the delivery of active agents LIPA, LPAR1, LPAR4 SMN1; SMN2 2802/4885CA14 2077/4885GAA 1423/4885
US-10729775-B2 Lipids and lipid compositions for the delivery of active agents LIPA, LPAR1, LPAR4 SMN1; SMN2 2802/4885CA14 2077/4885GAA 1423/4885
US-11858875-B2 Propenylamines and methods of making and using same RFT1, AFF1, AFF2 SMN1; SMN2 1333/4885CA14 4031/4885GAA 4845/4885
US-10385249-B2 Hydrofluoroether olefins and methods of using same SLC46A1, CYP4F2, FANCF SMN1; SMN2 2307/4885CA14 183/4885GAA 2118/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 SMN1; SMN2 4351/4885CA14 4227/4885GAA 1708/4885

“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.