SCHEMBL4369518

SCHEMBL4369518

CNC1CCN(Cc2ccccc2)CC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.53
CXCR3 P49682 1/20 0.50
BACE1 P56817 3/20 0.48
BCHE P06276 2/20 0.48
CCR3 P51677 1/20 0.47
GAA P10253 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
CXCR4 P61073 1/20 0.46
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
BDKRB1 P46663 1/20 0.45
MC4R P32245 1/20 0.44

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
SCHEMBL13979545 0.87 ACHE (0.58) ACHEBACE1BCHECXCR4DRD4
SCHEMBL4371116 0.87 ACHE (0.49) ACHECXCR3BACE1BCHECCR3
SCHEMBL4368251 0.87 CXCR3 (0.56) ACHECXCR3BACE1BCHECCR3
SCHEMBL4370160 0.86 ACHE (0.48) ACHECXCR3BACE1BCHECCR3
SCHEMBL25339549 0.85 JAK1 (0.51) ACHECXCR3BACE1BCHECCR3
SCHEMBL4370145 0.84 BDKRB1 (0.52) ACHESIGMAR1DRD4DRD2DRD3
SCHEMBL2896845 0.81 ACHE (0.56) ACHECCR3GAASIGMAR1CXCR4
SCHEMBL19506206 0.81 ACHE (0.60) ACHEBACE1BCHECCR3GAA
SCHEMBL4379655 0.81 ACHE (0.51) ACHEBACE1BCHECCR3GAA
SCHEMBL1338741 0.80 ACHE (0.54) ACHEBACE1BCHECCR3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080214608-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 2008-09-04 US disclosed
US-7393957-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) 2008-07-01 US disclosed
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 disclosed
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 disclosed
US-20050065164-A1 Generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments WOCKHARDT LIMITED 2005-03-24 US disclosed
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 disclosed
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 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-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 ACHE 3789/4885CXCR3 334/4885BACE1 2210/4885
US-20050065164-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 ACHE 3789/4885CXCR3 334/4885BACE1 2210/4885
US-20080214608-A1 New generation triple-targeting, chiral, broad-spectrum antimicrobial 7-substituted piperidino-quinolone carboxylic acid derivatives, their preparation, compositions and use as medicaments ABCG2, CYP3A7, UGT1A7 ACHE 3831/4885CXCR3 231/4885BACE1 2250/4885
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 ACHE 3789/4885CXCR3 334/4885BACE1 2210/4885

“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.