SCHEMBL3248455

SCHEMBL3248455

CC(C)(C)OC(=O)N1CCCC(F)C1Cc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.42
NPC1 O15118 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
NR1H2 P55055 1/20 0.40
HCRTR2 O43614 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
UCHL1 P09936 1/20 0.38
HSD17B10 Q99714 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL18862964 0.86 NR1H2 (0.40) NR1H2
SCHEMBL17542457 0.86 NR1H2 (0.40) NR1H2
SCHEMBL17541935 0.86 NR1H2 (0.40) NR1H2
SCHEMBL14417561 0.81 KLK7 (0.47) KLK7NR1H2HCRTR2LMNAKMT2A
SCHEMBL29997387 0.81 KLK7 (0.47) KLK7NR1H2HCRTR2LMNAKMT2A
SCHEMBL30165876 0.80 NR1H2 (0.44) NPC1ALOX5APFEN1NR1H2LMNA
SCHEMBL28334115 0.78 NR1H2 (0.44) NPC1NR1H2ALDH1A1OPRK1
SCHEMBL28332149 0.78 NR1H2 (0.44) NPC1NR1H2ALDH1A1OPRK1
SCHEMBL28332146 0.78 NR1H2 (0.44) NPC1NR1H2ALDH1A1OPRK1
SCHEMBL5582903 0.77 BACE1 (0.50) ALOX5APFEN1NR1H2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP disclosed
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US disclosed
US-7109213-B2 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2006-09-19 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
US-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 US disclosed
US-20050085494-A1 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1470125-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-10-27 EP disclosed
EP-1470131-A2 AMINOPIPERIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2004-10-27 EP disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2003064421-A1 AMINOPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-07 WO disclosed
WO-2003064431-A2 AMINOPIPERIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2003-08-07 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 (3 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-20050085494-A1 Aminopiperidine compounds, process for their preparation, and pharmaceutical compositions containing them NPEPPS, AASDHPPT, DNPEP KLK7 3720/4885NPC1 3308/4885ALOX5AP 127/4885
US-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS KLK7 4084/4885NPC1 3780/4885ALOX5AP 395/4885
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 KLK7 3166/4885NPC1 4227/4885ALOX5AP 4231/4885

“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.