SCHEMBL509681

SCHEMBL509681

COC(=O)CC(=O)c1nccn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LDHA P00338 6/20 0.39
LDHB P07195 6/20 0.39
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CCR9 P51686 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL402733 0.85 MGAM (0.42) NAMPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL18787644 0.84 NAMPT (0.39) NAMPTRAB9ANPC1SMN1; SMN2LDHA
SCHEMBL509064 0.80 CYP1A2 (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL15979655 0.80 NAMPT (0.44) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3397905 0.79 RAB9A (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4507398 0.78 SMN1; SMN2 (0.47) NAMPTRAB9ASMN1; SMN2LDHALDHB
SCHEMBL12094827 0.78 NAMPT (0.43) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13319132 0.77 PLOD2 (0.46) NAMPTRAB9ANPC1SMN1; SMN2LDHA
Hydrochloric Acid SCHEMBL1981157 0.77 NAMPT (0.42) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4865756 0.77 NAMPT (0.42) NAMPTRAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
EP-2376488-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-10-19 EP disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US disclosed
WO-2010067123-A1 2- (PIPERIDIN-1-YL) -4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 US disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed
WO-2008068470-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2008-06-12 WO disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
WO-2008020227-A2 ANTIBACTERIAL PYRROLECARBOXAMIDES ASTRAZENECA AB (SE) 2008-02-21 WO disclosed
US-4853027-A PREEMGENCE, POSTEMERGENCE HOERBICIDES; WEEDS, GRASSES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-01 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR NAMPT 895/4885RAB9A 1705/4885NPC1 837/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 NAMPT 420/4885RAB9A 1983/4885NPC1 762/4885
US-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 NAMPT 1847/4885RAB9A 1867/4885NPC1 207/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR NAMPT 888/4885RAB9A 399/4885NPC1 789/4885

“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.