SCHEMBL509064

SCHEMBL509064

COCCn1ccnc1C(=O)CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
FLT1 P17948 4/20 0.36
KDR P35968 4/20 0.36
NR3C1 P04150 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL403466 0.89 PKM (0.40) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL27788616 0.85 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL3397905 0.85 RAB9A (0.33) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL510666 0.81 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL28418699 0.81 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL509681 0.80 NAMPT (0.42) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL3405493 0.77 DGAT1 (0.37) NPC1
SCHEMBL30554013 0.77 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL28034305 0.72 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL21051140 0.69 KDM5A (0.40) CYP1A2CYP3A4CYP2C9PKMCYP2C19

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-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-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
US-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US 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
CN-101558066-A Pyrrole derivatives with antibacterial activity ASTRAZENECA AB (SE) 2009-10-14 CN disclosed
EP-2102199-A1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS AstraZeneca AB (SE) 2009-09-23 EP 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
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

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 CYP1A2 252/4885CYP3A4 327/4885CYP2C9 157/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 CYP1A2 391/4885CYP3A4 288/4885CYP2C9 201/4885
US-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 CYP1A2 41/4885CYP3A4 28/4885CYP2C9 11/4885
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR CYP1A2 156/4885CYP3A4 236/4885CYP2C9 64/4885

“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.