SCHEMBL4458208

SCHEMBL4458208

COc1c(N2CC[C@@H](N)C(C)(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.69
KDM4E B2RXH2 8/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.65
POLB P06746 3/20 0.65
HSD17B10 Q99714 2/20 0.65
OPRM1 P35372 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
PRKD3 O94806 1/20 0.65
ALOX15 P16050 1/20 0.65
CLK2 P49760 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
OPRD1 P41143 1/20 0.56
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL4460676 1.00 KCNH2 (0.69) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL4365316 1.00 KCNH2 (0.69) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL4463121 0.99 KCNH2 (0.68) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL4462953 0.99 KCNH2 (0.68) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL2364485 0.99 KCNH2 (0.68) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL14740153 0.98 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL14740155 0.98 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL4364270 0.96 KCNH2 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL4460621 0.96 KCNH2 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL4460682 0.96 KCNH2 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538221-B2 Polymorphs of racemic, dextrorotatory, and levorotatory enantioners of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid hydrochloride and mesylate salts THE COMPANY OF WOCKHARDT LIMITED (IN) 2009-05-26 US claimed
US-20070082926-A1 Novel polymorphs of racemic, dextrorotatory, and levorotatory enationers of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo- quinoline-3-carboxylic acid hydrochloride and mesylate salts WOCKHARDT LIMITED (IN) 2007-04-12 US claimed
EP-1694667-A2 POLYMORPHS OF 1-CYCLOPROPYL-6-FLUORO-8-METHOXY-7-(4-AMINO-3, 3-DIMETHYLPIPERIDIN-1-YL)-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE AND MESALYTE SALTS Wockhardt Limited (IN) 2006-08-30 EP claimed
WO-2005066154-A2 POLYMORPHS OF 1-CYCLOPROPYL-6-FUORO-8-METHOXY-7-(4-AMINO-3, 3-DIMETHYLPIPERIDIN-1-YL) -1, 4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE AND MESALYTE SALTS WOCKHARDT LIMITED (IN) 2005-07-21 WO claimed
US-7538221-B2 Polymorphs of racemic, dextrorotatory, and levorotatory enantioners of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid hydrochloride and mesylate salts THE COMPANY OF WOCKHARDT LIMITED (IN) 2009-05-26 US disclosed
US-7538221-B2 Polymorphs of racemic, dextrorotatory, and levorotatory enantioners of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid hydrochloride and mesylate salts THE COMPANY OF WOCKHARDT LIMITED (IN) 2009-05-26 US disclosed
US-20070082926-A1 Novel polymorphs of racemic, dextrorotatory, and levorotatory enationers of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo- quinoline-3-carboxylic acid hydrochloride and mesylate salts WOCKHARDT LIMITED (IN) 2007-04-12 US disclosed
US-20070082926-A1 Novel polymorphs of racemic, dextrorotatory, and levorotatory enationers of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo- quinoline-3-carboxylic acid hydrochloride and mesylate salts WOCKHARDT LIMITED (IN) 2007-04-12 US disclosed
EP-1694667-A2 POLYMORPHS OF 1-CYCLOPROPYL-6-FLUORO-8-METHOXY-7-(4-AMINO-3, 3-DIMETHYLPIPERIDIN-1-YL)-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE AND MESALYTE SALTS Wockhardt Limited (IN) 2006-08-30 EP disclosed
WO-2005066154-A2 POLYMORPHS OF 1-CYCLOPROPYL-6-FUORO-8-METHOXY-7-(4-AMINO-3, 3-DIMETHYLPIPERIDIN-1-YL) -1, 4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE AND MESALYTE SALTS WOCKHARDT LIMITED (IN) 2005-07-21 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 (1 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-20070082926-A1 Novel polymorphs of racemic, dextrorotatory, and levorotatory enationers of 1-cyclopropyl-6-fluoro-8-methoxy-7-(4-amino-3,3-dimethylpiperidin-1-yl)-1,4-dihydro-4-oxo- quinoline-3-carboxylic acid hydrochloride and mesylate salts CYP2D6, UGT1A1, ADRA1A KCNH2 784/4885KDM4E 3426/4885ALDH1A1 276/4885

“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.