SCHEMBL509389

SCHEMBL509389

COC(=O)CC(=O)c1nccc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.47
PIK3CD O00329 2/20 0.47
OGA O60502 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
AOC3 Q16853 2/20 0.41
MTOR P42345 1/20 0.41
PIK3CB P42338 1/20 0.40
JAK2 O60674 1/20 0.40
FLT3 P36888 1/20 0.40
MAPT P10636 2/20 0.40
ATR Q13535 1/20 0.40

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
SCHEMBL509702 0.87 CXCR4 (0.45) ALDH1A1MEN1TSHRKMT2AMAPT
SCHEMBL510355 0.86 HRH4 (0.49) ALDH1A1MEN1USP2CYP1A2ALOX15
SCHEMBL509880 0.84 HRH3 (0.41) ALDH1A1KMT2AMAPTRAB9AKDM4E
SCHEMBL510428 0.81 HRH4 (0.40) OGA
SCHEMBL510365 0.80 SORD (0.58) PIK3CAPIK3CDOGAALDH1A1MEN1
SCHEMBL10214439 0.80 PIK3CA (0.46) PIK3CAPIK3CDOGAALDH1A1MEN1
SCHEMBL3406277 0.71 MTNR1A (0.45) ALDH1A1MEN1TSHRKMT2AMAPT
SCHEMBL27720647 0.71 CYP2C19 (0.50) PIK3CAPIK3CDOGAALDH1A1MEN1
SCHEMBL4722662 0.70 SORD (0.50) PIK3CAPIK3CDOGAALDH1A1MEN1
SCHEMBL20424591 0.69 AOC3 (0.60) ALDH1A1MEN1CYP1A2ALOX15CYP2C19

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 7 patents. 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-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
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 PIK3CA 1191/4885PIK3CD 1473/4885OGA 2400/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 PIK3CA 1368/4885PIK3CD 1719/4885OGA 3540/4885

“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.