SCHEMBL509692

SCHEMBL509692

CC(=O)c1nccc(N2CCN(C)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 4/20 0.59
HRH4 Q9H3N8 7/20 0.58
HRH3 Q9Y5N1 3/20 0.58
ALDH1A1 P00352 6/20 0.49
CYP1A2 P05177 6/20 0.49
HSD17B10 Q99714 4/20 0.49
CYP2D6 P10635 4/20 0.49
ALOX15 P16050 1/20 0.49
CYP3A4 P08684 4/20 0.48
USP2 O75604 3/20 0.48
CLK4 Q9HAZ1 2/20 0.48
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
JAK2 O60674 1/20 0.47
FLT3 P36888 1/20 0.47
CYP2C19 P33261 2/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45

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
SCHEMBL509736 0.86 SORD (0.61) SORDHRH4HRH3ALDH1A1
SCHEMBL509749 0.84 SORD (0.56) SORDHRH4HRH3KDM4E
SCHEMBL510365 0.83 SORD (0.58) SORDALDH1A1CYP1A2HSD17B10ALOX15
SCHEMBL9371310 0.83 SORD (0.58) SORDHRH4HRH3ALDH1A1CYP1A2
SCHEMBL509308 0.80 SORD (0.52) SORDHRH4
SCHEMBL6294542 0.79 SORD (0.53) SORDHRH4HRH3JAK2FLT3
SCHEMBL12639902 0.75 HRH4 (0.54) HRH4HRH3CLK4
SCHEMBL14029975 0.75 HRH4 (0.67) SORDHRH4HRH3ALDH1A1CYP1A2
SCHEMBL6294537 0.75 SORD (1.00) SORD
SCHEMBL2166051 0.73 HRH4 (1.00) HRH4HRH3ALDH1A1CYP1A2HSD17B10

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-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
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 SORD 284/4885HRH4 744/4885HRH3 1206/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 SORD 91/4885HRH4 1025/4885HRH3 1190/4885

“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.