SCHEMBL2365463

SCHEMBL2365463

Cc1c(N2CCC(N)C(C)(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.68
ALDH1A1 P00352 5/20 0.59
POLB P06746 2/20 0.59
OPRM1 P35372 2/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
OPRD1 P41143 1/20 0.59
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TOP2A P11388 5/20 0.50
TOP2B Q02880 5/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5094612 1.00 KCNH2 (0.68) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL5128839 1.00 KCNH2 (0.68) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL2358343 0.99 KCNH2 (0.67) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL6583785 0.99 KCNH2 (0.67) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL2358345 0.99 KCNH2 (0.67) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4364180 0.96 KCNH2 (0.63) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4369255 0.91 KCNH2 (0.67) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL14229915 0.90 KCNH2 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4458208 0.89 KCNH2 (0.69) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL4365337 0.89 KCNH2 (0.58) KCNH2ALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296228-A1 EFFLUX PUMP INHIBITORS PATEL MAHESH VITHALBHAI (IN) 2013-11-07 US claimed
US-20130059774-A1 EFFLUX PUMP INHIBITORS PATEL MAHESH VITHALBHAI (IN) 2013-03-07 US claimed
EP-2536408-A1 EFFLUX PUMP INHIBITORS Wockhardt Research Centre (IN) 2012-12-26 EP claimed
WO-2011101710-A1 EFFLUX PUMP INHIBITORS WOCKHARDT RESEARCH CENTRE (IN) 2011-08-25 WO claimed
WO-2008038122-A2 PROCESSES FOR THE PREPARATION OF 7-SUBSTITUTED 3,3-DIMETHYL-4-AMINO-PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES WOCKHARDT RESEARCH CENTRE (IN) 2008-04-03 WO claimed
US-6964966-B2 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED (IN) 2005-11-15 US claimed
US-6878713-B2 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED (IN) 2005-04-12 US claimed
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP claimed
EP-1392677-A2 CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS Wockhardt Limited (IN) 2004-03-03 EP claimed
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments WOCKHARDT LIMITED 2003-11-20 US claimed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO claimed
US-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2003-05-22 US claimed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 WO claimed
US-20130296228-A1 EFFLUX PUMP INHIBITORS PATEL MAHESH VITHALBHAI (IN) 2013-11-07 US disclosed
US-20130059774-A1 EFFLUX PUMP INHIBITORS PATEL MAHESH VITHALBHAI (IN) 2013-03-07 US disclosed
US-7626032-B2 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED (IN) 2009-12-01 US disclosed
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments WOCKHARDT LIMITED 2003-11-20 US disclosed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO disclosed
US-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2003-05-22 US disclosed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 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 (4 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-20130296228-A1 EFFLUX PUMP INHIBITORS ABCB11, ABCC1, ABCB1 KCNH2 2360/4885ALDH1A1 1612/4885POLB 704/4885
US-20030096812-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-Quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 KCNH2 4170/4885ALDH1A1 1962/4885POLB 464/4885
US-20030216568-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation,compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 KCNH2 4170/4885ALDH1A1 1962/4885POLB 464/4885
US-20130059774-A1 EFFLUX PUMP INHIBITORS ABCB11, ABCC1, ABCB1 KCNH2 2360/4885ALDH1A1 1612/4885POLB 704/4885

“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.