SCHEMBL4954489

SCHEMBL4954489

CC(C(=O)O)C1COCCN1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.31
TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL15572916 0.98 ALDH1A1 (0.32) CPB2
SCHEMBL11599065 0.78
SCHEMBL5797547 0.77 CPN1 (0.31) CPB2
SCHEMBL4681723 0.77 AKT1 (0.35)
SCHEMBL5598602 0.76
SCHEMBL196537 0.76
SCHEMBL516848 0.76
SCHEMBL516849 0.76
SCHEMBL1005721 0.76
SCHEMBL11119178 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907288-A Application of nitrobenzene compounds in preparation of pseudomonas aeruginosa quorum sensing inhibitor 中国医学科学院医药生物技术研究所 2022-08-16 CN disclosed
US-7402583-B2 Substituted quinolines as antitumor agents ASTRZENCA AB (SE) 2008-07-22 US disclosed
US-7365067-B2 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-20070197570-A1 Indanol derivative SANKYO COMPANY, LIMITED (JP) 2007-08-23 US disclosed
US-20070021407-A1 Substituted quinolines as antitumor agents ASTRAZENECA 2007-01-25 US disclosed
EP-1746095-A1 INDANOL DERIVATIVE Sankyo Company, Limited (JP) 2007-01-24 EP disclosed
US-7067532-B2 Substituted quinolines as antitumor agents ASTRAZENECA (SE) 2006-06-27 US disclosed
US-20040029898-A1 Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2004-02-12 US disclosed
EP-1337524-A1 SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP disclosed
WO-2002044166-A1 SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-06-06 WO disclosed
EP-0730591-B1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES UPJOHN CO (US) 1999-07-14 EP disclosed
US-5763631-A CIS-EPOXIDE COMPOUNDS; ANTIVIRUS AGENTS; USEFUL TO TREAT THE AIDS LUCKY LIMITED (KR) 1998-06-09 US disclosed
US-5744621-A CIS-EPOXIDE COMPOUNDS LUCKY LIMITED. (KR) 1998-04-28 US disclosed
US-5652238-A WATER SOLUBILITY; ANTIMICROBIAL AGENTS EFFECTIVE AGAINST RESISTANT STAPHYLOCOCCI, ENTEROCOCCI, AND STREPTOCOCCI PHARMACIA & UPJOHN COMPANY (US) 1997-07-29 US disclosed
US-5587388-A AIDS; VIRICIDES LUCKY LIMITED (KR) 1996-12-24 US disclosed
EP-0730591-A1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1996-09-11 EP disclosed
WO-1995014684-A1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES THE UPJOHN COMPANY (US) 1995-06-01 WO disclosed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP 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-20070021407-A1 Substituted quinolines as antitumor agents NR1H3, NR1H2, NR0B1 CPB2 4734/4885TSHR 161/4885
US-20040029898-A1 Substituted quinolines as antitumor agents NQO2, NQO1, TP53 CPB2 4102/4885TSHR 4338/4885
US-20070197570-A1 Indanol derivative BDKRB2, BDKRB1, TACR2 CPB2 3458/4885TSHR 407/4885

“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.