SCHEMBL4353938

SCHEMBL4353938

CC(C)(C)OC(=O)NC(CCO)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.53
CTSS P25774 4/20 0.53
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
PRKACA P17612 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
PRKCQ Q04759 1/20 0.47
ROCK1 Q13464 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
RIPK1 Q13546 1/20 0.47
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL56596 1.00 CTSK (0.53) CTSKCTSSMAPTATMPRKACA
SCHEMBL56698 1.00 CTSK (0.53) CTSKCTSSMAPTATMPRKACA
SCHEMBL21714668 0.92 CTSK (0.51) CTSKCTSSMAPTATMRIPK1
SCHEMBL4714695 0.92 CTSK (0.51) CTSKCTSSMAPTATMRIPK1
SCHEMBL14168716 0.89 CTSK (0.51) CTSKCTSSMAPTATMRIPK1
SCHEMBL4583120 0.88 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL4961187 0.88 CTSK (0.56) CTSKCTSSMAPTATMRIPK1
SCHEMBL28464584 0.88 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL127326 0.88 RIPK1 (0.60) CTSKCTSSMAPTATMRIPK1
SCHEMBL2481921 0.88 RIPK1 (0.60) CTSKCTSSMAPTATMRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107879963-A Novel chiral ligands, metallo-chelate, a variety of alpha-non-natural amino acids, the synthetic method of Malawi's promise and its key intermediate 中国科学院上海药物研究所 2018-04-06 CN disclosed
CN-106030417-A Photosensitizing chemically amplified resist material, method for forming pattern using same, semiconductor device, mask for lithography, and template for nanoimprinting 东京毅力科创株式会社 2016-10-12 CN disclosed
CN-101875666-B Optical pure 1,3-alkamine compound as well as preparation method and application thereof in preparing Dapoxetine and analogues thereof ASTATECH CHENGDU PHARMACEUTICAL CO LTD 2011-12-28 CN disclosed
US-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 US disclosed
US-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 US disclosed
US-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 US disclosed
CN-101875666-A Optical pure 1,3-alkamine compound as well as preparation method and application thereof in preparing Dapoxetine and analogues thereof ASTATECH CHENGDU PHARMACEUTICAL CO LTD 2010-11-03 CN disclosed
CN-101674822-A compositions and methods for inhibiting cytochrome p450 SEQUOIA PHARMACEUTICALS INC 2010-03-17 CN disclosed
WO-2009137340-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-12 WO disclosed
US-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-05 US disclosed
EP-1149076-B1 O-THIOCARBAMOYL-AMINOALKANOL COMPOUNDS, THEIR PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2003-10-22 EP disclosed
US-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
WO-2002070479-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2002-09-12 WO disclosed
CN-1346346-A O-thiocarbamoyl-aminoalkanol compounds, pharmaceutically acceptable salts thereof and process for preparing the same SK CORP (KR) 2002-04-24 CN disclosed
EP-1149076-A1 O-THIOCARBAMOYL-AMINOALKANOL COMPOUNDS, THEIR PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR PREPARING THE SAME SK Corporation (KR) 2001-10-31 EP disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
WO-2000046191-A1 O-THIOCARBAMOYL-AMINOALKANOL COMPOUNDS, THEIR PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR PREPARING THE SAME SK CORPORATION (KR) 2000-08-10 WO disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 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 (1 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-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ADRA2B, ADRA2C, ADRB2 CTSK 2618/4885CTSS 2897/4885MAPT 3668/4885

“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.