SCHEMBL4577229

SCHEMBL4577229

COc1cc[c]cc1OCCN(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.53
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HTR1B P28222 1/20 0.41
DRD2 P14416 2/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HTR2B P41595 1/20 0.38
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL2479633 0.93 HTR7 (0.53) HTR7ALDH1A1KDM4EHTR1BDRD2
SCHEMBL188489 0.92 HTR7 (0.44) HTR7ALDH1A1KDM4EHTR1BHRH3
SCHEMBL3463971 0.85 HTR7 (0.42) HTR7ALDH1A1KDM4EHTR1BDRD2
SCHEMBL188299 0.85 HTR7 (0.44) HTR7ALDH1A1KDM4EHTR1BHRH3
SCHEMBL188778 0.83 KDM4E (0.53) HTR7ALDH1A1KDM4EHTR1BDRD2
SCHEMBL15832917 0.83 CHRNB2 (0.39) HTR2CLTA4H
SCHEMBL314353 0.81 KDM4E (0.37) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL182703 0.81 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL3419949 0.80 HTR7 (0.44) HTR7ALDH1A1KDM4EHTR1BDRD2
SCHEMBL16240198 0.80 HTR7 (0.60) HTR7ALDH1A1KDM4EHTR1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104211632-B 2 indolone derivatives with tyrosine-kinase enzyme inhibition activity and preparation method and application 中国人民解放军军事医学科学院放射与辐射医学研究所 2016-12-28 CN claimed
CN-104211632-B 2 indolone derivatives with tyrosine-kinase enzyme inhibition activity and preparation method and application 中国人民解放军军事医学科学院放射与辐射医学研究所 2016-12-28 CN disclosed
WO-2012114252-A1 NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 WO disclosed
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis NOVARTIS AG (CH) 2008-09-11 US disclosed
EP-1931994-A2 MOLECULAR MARKERS ASSOCIATED WITH BONE METASTASIS Novartis AG (CH) 2008-06-18 EP disclosed
US-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases MISSBACH MARTIN 2007-06-14 US disclosed
WO-2007038397-A2 MOLECULAR MARKERS ASSOCIATED WITH BONE METASTASIS NOVARTIS AG (CH) 2007-04-05 WO disclosed
US-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss ZIMMERMANN JOHANN 2006-12-14 US disclosed
EP-1423121-B1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2006-11-15 EP disclosed
US-7112589-B2 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2006-09-26 US disclosed
EP-1686995-A1 USE OF CATHEPSIN K INHIBITORS FOR TREATING OF SEVERE BONE LOSS DISEASES Novartis AG (CH) 2006-08-09 EP disclosed
EP-1651238-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS Novartis AG (CH) 2006-05-03 EP disclosed
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases ALTMANN EVA 2006-04-06 US disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 WO disclosed
WO-2005014006-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1423121-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
US-5389620-A Bronchodilation agent, vasodilation BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 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 (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-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases CTSK, CTSB, CTSZ HTR7 4417/4885ALDH1A1 4770/4885KDM4E 1710/4885
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ HTR7 3134/4885ALDH1A1 2591/4885KDM4E 1219/4885
US-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss CTSK, CTSB, CTSZ HTR7 4608/4885ALDH1A1 4589/4885KDM4E 2946/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 HTR7 4726/4885ALDH1A1 3291/4885KDM4E 4385/4885
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ HTR7 3110/4885ALDH1A1 3065/4885KDM4E 1107/4885

“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.