SCHEMBL116273

SCHEMBL116273

CCOC(=O)c1cn(C2CC2)c2c(OC)c(F)ccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
KCNH2 Q12809 6/20 0.48
GSK3B P49841 2/20 0.48
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41

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
SCHEMBL14940560 0.89 KCNH2 (0.49) KCNH2GSK3BTDP1KDM4EALDH1A1
SCHEMBL6218398 0.88 KCNH2 (0.49) ADRB2KCNH2GSK3BTDP1KDM4E
SCHEMBL9148042 0.88 ADRB2 (0.55) ADRB2KCNH2TDP1KDM4EALDH1A1
SCHEMBL6783818 0.88 ADRB2 (0.59) ADRB2KCNH2TDP1KDM4EALDH1A1
SCHEMBL2080448 0.88 CYP3A4 (0.49) ADRB2KCNH2GSK3BTDP1KDM4E
SCHEMBL2080449 0.88 CYP3A4 (0.49) ADRB2KCNH2GSK3BTDP1KDM4E
SCHEMBL7496082 0.87 KCNH2 (0.48) ADRB2KCNH2GSK3BTDP1KDM4E
SCHEMBL115123 0.87 ADRB2 (0.54) ADRB2KCNH2TDP1KDM4EALDH1A1
SCHEMBL1989474 0.86 ADRB2 (0.61) ADRB2KCNH2GSK3BTDP1KDM4E
SCHEMBL29391687 0.86 ADRB2 (0.61) ADRB2KCNH2GSK3BTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143016-A Synthesis process of 1-cyclopropyl-7-fluoro-8-methoxy-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid 奥盖尼克材料(苏州)有限公司 2023-12-01 CN claimed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US claimed
CN-117143016-A Synthesis process of 1-cyclopropyl-7-fluoro-8-methoxy-4-oxo-1, 4-dihydroquinoline-3-carboxylic acid 奥盖尼克材料(苏州)有限公司 2023-12-01 CN disclosed
US-8158798-B2 Coupling process for preparing quinolone intermediates TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-04-17 US disclosed
US-8158798-B2 Coupling process for preparing quinolone intermediates TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-04-17 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-8039485-B2 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid WARNER CHILCOTT COMPANY, LLC (US) 2011-10-18 US disclosed
US-8039485-B2 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid WARNER CHILCOTT COMPANY, LLC (US) 2011-10-18 US disclosed
EP-2256120-A1 Oxazolidinone-quinolone hybrids as antibacterial compounds Actelion Pharmaceuticals Ltd. (CH) 2010-12-01 EP disclosed
US-20070232650-A1 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid THE PROCTER & GAMBLE COMPANY 2007-10-04 US disclosed
WO-2007110835-A2 A COUPLING PROCESS FOR PREPARING QUINOLONE INTERMEDIATES THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 WO disclosed
US-20070232804-A1 Coupling process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2007-10-04 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
EP-1532114-A2 PROCESS FOR PREPARING QUINOLONE ANTIBIOTIC INTERMEDIATES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-6803469-B2 CYCLIZING IN THE PRESENCE OF A SILYLATING AGENT THE PROCTER & GAMBLE COMPANY 2004-10-12 US disclosed
US-20040063952-A1 Process for preparing quinolone antibiotic intermediates WARNER CHILCOTT COMPANY, LLC 2004-04-01 US disclosed
WO-2004013103-A2 PROCESS FOR PREPARING QUINOLONE ANTIBIOTIC INTERMEDIATES THE PROCTER & GAMBLE COMPANY (US) 2004-02-12 WO disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 ADRB2 2703/4885KCNH2 1112/4885GSK3B 3108/4885
US-20070232804-A1 Coupling process for preparing quinolone intermediates CYP3A4, CYP4B1, CYP4X1 ADRB2 2269/4885KCNH2 1111/4885GSK3B 3457/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ADRB2 702/4885KCNH2 1477/4885GSK3B 3846/4885
US-20070232650-A1 Malate salts, and polymorphs of (3S,5S)-7-[3-amino-5-methyl-piperidinyl]-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid SLC25A11, MDH2, MDH1 ADRB2 3221/4885KCNH2 2469/4885GSK3B 3708/4885
US-20040063952-A1 Process for preparing quinolone antibiotic intermediates QPCT, CCNT1, TOP1 ADRB2 1089/4885KCNH2 665/4885GSK3B 2255/4885

“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.