SCHEMBL8312966

SCHEMBL8312966

CC(C)(C)OC(=O)CC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP2D6 P10635 1/20 0.37
CA2 P00918 2/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 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
SCHEMBL2557471 0.83 MAOA (0.42) DGAT1MAOAMAOBCYP2D6CA2
SCHEMBL241533 0.82 DGAT1 (0.46) DGAT1CYP2D6CA2CA12CA14
SCHEMBL27275384 0.80 MAOA (0.41) DGAT1MAOAMAOBCYP2D6CA2
Methyl Alcohol SCHEMBL27995686 0.79 DGAT1 (0.44) DGAT1CYP2D6CA2CA12CA14
SCHEMBL2086711 0.79 DGAT1 (0.37) DGAT1MAOAMAOBCYP2D6CA2
SCHEMBL2975348 0.78 DGAT1 (0.39) DGAT1CYP2D6CA2CA12CA14
SCHEMBL3371966 0.77 DGAT1 (0.40) DGAT1CYP2D6CA2CA12CA14
SCHEMBL8428953 0.77 DGAT1 (0.35) DGAT1MAOAMAOBCYP2D6CA2
SCHEMBL27400387 0.77 CA12 (0.37) DGAT1CYP2D6CA2CA12CA14
SCHEMBL2648388 0.77 DGAT1 (0.42) DGAT1CYP2D6CA2CA12CA14

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210776-A1 CATIONIC STEROIDAL ANTIMICROBIALS BRIGHAM YOUNG UNIVERSITY (US) 2017-07-27 US disclosed
US-9387215-B2 Animal feed including cationic cholesterol additive and related methods BRIGHAM YOUNG UNIVERSITY (US) 2016-07-12 US disclosed
US-20160193232-A1 TREATMENT AND PREVENTION OF MASTITIS BRIGHAM YOUNG UNIVERSITY (US) 2016-07-07 US disclosed
US-9314472-B2 Treatment and prevention of mastitis BRIGHAM YOUNG UNIVERSITY (US) 2016-04-19 US disclosed
US-20150374719-A1 METHODS FOR TREATING FUNGAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2015-12-31 US disclosed
US-20140336131-A1 METHODS FOR TREATING INFLAMMATION, AUTOIMMUNE DISORDERS AND PAIN BRIGHAM YOUNG UNIVERSITY (US) 2014-11-13 US disclosed
US-20140315873-A1 ANIMAL FEED INCLUDING CATIONIC CHOLESTEROL ADDITIVE AND RELATED METHODS BRIGHAM YOUNG UNIVERSITY (US) 2014-10-23 US disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
WO-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 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 (7 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-20170210776-A1 CATIONIC STEROIDAL ANTIMICROBIALS CCL11, CCL5, SERPINA6 DGAT1 2155/4885MAOA 3766/4885MAOB 3756/4885
US-20140315873-A1 ANIMAL FEED INCLUDING CATIONIC CHOLESTEROL ADDITIVE AND RELATED METHODS PIGS, CETP, CYP46A1 DGAT1 498/4885MAOA 2016/4885MAOB 2966/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK DGAT1 4037/4885MAOA 454/4885MAOB 418/4885
US-20140336131-A1 METHODS FOR TREATING INFLAMMATION, AUTOIMMUNE DISORDERS AND PAIN MPO, SSB, MMP8 DGAT1 1764/4885MAOA 4018/4885MAOB 3948/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK DGAT1 4037/4885MAOA 454/4885MAOB 418/4885
US-20160193232-A1 TREATMENT AND PREVENTION OF MASTITIS NFATC1, CYP11A1, CTSA DGAT1 3487/4885MAOA 2158/4885MAOB 4081/4885
US-20150374719-A1 METHODS FOR TREATING FUNGAL INFECTIONS ERG28, ASAH2, DPM1 DGAT1 2077/4885MAOA 2768/4885MAOB 2457/4885

“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.