SCHEMBL3665017

SCHEMBL3665017

COc1ccc(C[C](C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
IDO1 P14902 2/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CTBP2 P56545 1/20 0.52
CALM1 P0DP23 1/20 0.50
AGXT P21549 1/20 0.50
PKM P14618 1/20 0.50
LTA4H P09960 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7370074 0.84 HTT (0.57) HTTSMN1; SMN2KDM4EIDO1CA12
SCHEMBL48525 0.82 HTT (0.66) HTTSMN1; SMN2KDM4ECTBP2PKM
SCHEMBL3805022 0.80 HTT (0.53) HTTSMN1; SMN2KDM4EIDO1CA12
SCHEMBL22481094 0.80 HTT (0.53) HTTSMN1; SMN2KDM4EIDO1CA12
SCHEMBL3628705 0.79 HTT (0.68) HTTSMN1; SMN2KDM4ECTBP2PKM
SCHEMBL23795055 0.79 SMN1; SMN2 (0.58) HTTSMN1; SMN2KDM4EIDO1PKM
SCHEMBL14451475 0.79 SMN1; SMN2 (0.53) HTTSMN1; SMN2KDM4EIDO1CA12
SCHEMBL3662312 0.79 KDM4E (0.62) HTTSMN1; SMN2KDM4EIDO1CTBP2
SCHEMBL6650453 0.77 NQO1 (0.61) SMN1; SMN2KDM4ELTA4HALDH1A1MEN1
SCHEMBL10969285 0.77 ALDH1A1 (0.55) HTTSMN1; SMN2KDM4EIDO1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558954-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE INKE, S.A. (ES) 2019-10-30 EP disclosed
WO-2018114887-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE LABORATORIOS LESVI, S.L. (ES) 2018-06-28 WO disclosed
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 US 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
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
US-5272268-A Dipeptide derivatives SHIONOGI & CO., LTD. (JP) 1993-12-21 US disclosed
US-5223615-A Hypotensive agents SHIONOGI & CO., LTD. (JP) 1993-06-29 US disclosed
US-5194608-A Hypotensive agents; inhibits renin-angiotensin system SHIONOGI & CO., LTD. (JP) 1993-03-16 US disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4396629-A HYPOTENSIVE AGENTS; ADRENERIGIC BLOCKING AGENTS STERLING DRUG INC. (US) 1983-08-02 US disclosed
US-4104402-A BRONCHODILATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-08-01 US disclosed
US-4035512-A Aminotetralols TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-12 US disclosed
US-4010202-A TREATMENT OF ASTHMA AND ARRHYTHMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-01 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 (3 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 HTT 3071/4885SMN1; SMN2 4067/4885KDM4E 1710/4885
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD HTT 3597/4885SMN1; SMN2 4701/4885KDM4E 2761/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 HTT 4875/4885SMN1; SMN2 4870/4885KDM4E 4385/4885

“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.