SCHEMBL56698

SCHEMBL56698

CC(C)(C)OC(=O)N[C@@H](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
SCHEMBL4353938 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845369-B Synthetic method of dapoxetine and intermediate thereof 浙江工业大学 2022-03-18 CN claimed
CN-111018723-B Preparation and detection method of dapoxetine hydrochloride isomer impurity 盖天力医药控股集团制药股份有限公司 2022-03-08 CN claimed
CN-111018723-A Preparation and detection method of dapoxetine hydrochloride isomer impurity 盖天力医药控股集团制药股份有限公司 2020-04-17 CN claimed
CN-109790114-B Novel chiral ligand, metal chelate, various unnatural amino acids and synthesis method of maraviroc and key intermediate thereof 中国科学院上海药物研究所 2025-03-07 CN disclosed
US-20240409535-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE GENENTECH, INC. (US) 2024-12-12 US disclosed
US-20240317738-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE GENENTECH, INC. (US) 2024-09-26 US disclosed
EP-4295845-A2 SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS F. Hoffmann-La Roche AG (CH) 2023-12-27 EP disclosed
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use GENENTECH, INC. (US) 2023-10-10 US disclosed
EP-3810283-B1 SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS HOFFMANN LA ROCHE (CH) 2023-06-14 EP disclosed
CN-110845369-B Synthetic method of dapoxetine and intermediate thereof 浙江工业大学 2022-03-18 CN disclosed
CN-110845369-B Synthetic method of dapoxetine and intermediate thereof 浙江工业大学 2022-03-18 CN disclosed
EP-1968940-A1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
EP-1654229-B1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1654229-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-05-10 EP disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2005009959-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-02-03 WO disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 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 (5 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-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 CTSK 4555/4885CTSS 3362/4885MAPT 4250/4885
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 CTSK 3185/4885CTSS 2818/4885MAPT 3669/4885
US-20240409535-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE TP53, DPYD, FLI1 CTSK 4312/4885CTSS 4379/4885MAPT 3156/4885
US-11780834-B2 Solid forms of 3-((1R,3R)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3- yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use TP53, DPYD, FLI1 CTSK 4312/4885CTSS 4379/4885MAPT 3156/4885
US-20240317738-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE TP53, DPYD, FLI1 CTSK 4312/4885CTSS 4379/4885MAPT 3156/4885

“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.