SCHEMBL4372291

SCHEMBL4372291

CC(C)(C)OC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.48
CYP2C19 P33261 1/20 0.47
PDE4B Q07343 1/20 0.47
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GRIN2B Q13224 3/20 0.44
STS P08842 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CTSL P07711 1/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4367160 0.92 STS (0.48) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL20400129 0.88 HTT (0.48) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26627091 0.84 PDE4B (0.46) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6947042 0.83 PDE4B (0.44) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL951538 0.83 KMT2A (0.59) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL21551011 0.83 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL24041196 0.82 STS (0.46) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL28546986 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL28550674 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26077281 0.82 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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 8 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
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

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 SMN1; SMN2 4719/4885NPC1 1865/4885RAB9A 508/4885
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 SMN1; SMN2 4719/4885NPC1 1865/4885RAB9A 508/4885
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 SMN1; SMN2 4727/4885NPC1 2108/4885RAB9A 659/4885
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 SMN1; SMN2 4719/4885NPC1 1865/4885RAB9A 508/4885

“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.