SCHEMBL873440

SCHEMBL873440

CC(C)C[C@H]1CNCCN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
TACR1 P25103 3/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MMP3 P08254 1/20 0.33
ADAM17 P78536 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL2295821 1.00 PARP1 (0.51) PARP1TACR1CYP2D6SLC6A2SLC6A4
SCHEMBL873960 1.00 PARP1 (0.51) PARP1TACR1CYP2D6SLC6A2SLC6A4
SCHEMBL23569456 0.89 PARP1 (0.49) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL21273838 0.88 PARP1 (0.50) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL27786601 0.87 PARP1 (0.47) PARP1MC4RMC5RNR1H2NR1H3
SCHEMBL24543368 0.86 PARP1 (0.53) PARP1NR1H2NR1H3
SCHEMBL30803666 0.86 PARP1 (0.53) PARP1NR1H2NR1H3
SCHEMBL1990452 0.84 PARP1 (0.54) PARP1KMT2ANR1H2
SCHEMBL1990451 0.84 PARP1 (0.54) PARP1KMT2ANR1H2
SCHEMBL336577 0.84 PARP1 (0.54) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 EP disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 US disclosed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US disclosed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP disclosed
EP-2778155-A1 2-aminopyridine derivatives useful as kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2014-09-17 EP disclosed
US-8809335-B2 Pyrazolopyrimidine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
EP-2328896-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2013-10-23 EP disclosed
US-8563576-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-22 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
CN-101146796-A 3-(indazol-5-yl)-(1,2,4)triazine derivatives and related compounds as protein kinase inhibitors for the treatment of cancer SCHERING CORP (US) 2008-03-19 CN disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 US disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 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-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PARP1 2400/4885TACR1 181/4885CYP2D6 1701/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PARP1 862/4885TACR1 4029/4885CYP2D6 3113/4885
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A PARP1 1738/4885TACR1 671/4885CYP2D6 310/4885
US-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 PARP1 1556/4885TACR1 3642/4885CYP2D6 3665/4885

“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.