SCHEMBL4380505

SCHEMBL4380505

CCOC(=O)C1(C)CN(Cc2ccccc2)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
POLB P06746 2/20 0.47
HTT P42858 1/20 0.45
PKM P14618 1/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 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
SCHEMBL9773708 0.88 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL18890683 0.85 MEN1 (0.56) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL6581527 0.84 GAA (0.51) CYP3A4CYP2D6GAAKMT2AMEN1
SCHEMBL15710575 0.84 KDM4E (0.50) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL11307926 0.81 GAA (0.48) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL6994227 0.81 KMT2A (0.47) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL17239738 0.81 KDM4E (0.47) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL1555848 0.81 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL30069356 0.80 MEN1 (0.46) CYP3A4CYP2C19GAAKMT2AMEN1
SCHEMBL4541512 0.80 KDM4E (0.46) CYP3A4CYP2D6CYP2C9CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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
EP-2734521-B1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2017-05-10 EP disclosed
EP-2734521-B1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2017-05-10 EP disclosed
US-9505755-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5A receptor modulators NOVARTIS AG (CH) 2016-11-29 US disclosed
US-9505755-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5A receptor modulators NOVARTIS AG (CH) 2016-11-29 US disclosed
US-9505755-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5A receptor modulators NOVARTIS AG (CH) 2016-11-29 US disclosed
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2014-11-27 US disclosed
US-8846656-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5a receptor modulators NOVARTIS AG (CH) 2014-09-30 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
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
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
US-5821240-A ENZYME INHIBITORS, SIGNAL INHIBITORS FOR ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS AND HORMONE INHIBITORS DR. KARL THOMAE GMBH (DE) 1998-10-13 US disclosed
EP-0751937-A1 N-(BENZHYDRYLOXYALKYL)-4-(CARBOXY/CARBAMOYL-METHYL)-PIPERIDINE DERIVATIVES AS ANTIDEPRESSANTS COOPERATION PHARMACEUTIQUE FRANCAISE (FR) 1997-01-08 EP disclosed
WO-1995026336-A1 N-(BENZHYDRYLOXYALKYL)-4-(CARBOXY/CARBAMOYL-METHYL)-PIPERIDINE DERIVATIVES AS ANTIDEPRESSANTS COOPERATION PHARMACEUTIQUE FRANCAISE (FR) 1995-10-05 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-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 CYP3A4 373/4885CYP2D6 521/4885CYP2C9 468/4885
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 CYP3A4 40/4885CYP2D6 13/4885CYP2C9 181/4885
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 CYP3A4 40/4885CYP2D6 13/4885CYP2C9 181/4885
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 CYP3A4 40/4885CYP2D6 13/4885CYP2C9 181/4885

“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.