SCHEMBL509702

SCHEMBL509702

COC(=O)CC(=O)c1nccc(N2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.45
NFKB1 P19838 2/20 0.41
NR2C2 P49116 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TAB1 Q15750 2/20 0.41
SORD Q00796 4/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
GBA1 P04062 1/20 0.40
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ACACB O00763 2/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL510355 0.88 HRH4 (0.49) SORDHRH4HRH3MEN1ALDH1A1
SCHEMBL509389 0.87 PIK3CA (0.47) MAPTMEN1ALDH1A1TSHRKMT2A
SCHEMBL509880 0.86 HRH3 (0.41) SORDTP53MAPTHRH4HRH3
SCHEMBL510428 0.83 HRH4 (0.40) SORDHRH4TRPV1
SCHEMBL509736 0.79 SORD (0.61) CXCR4NFKB1NR2C2NFKB2RELA
SCHEMBL10214505 0.78 CXCR4 (0.44) CXCR4NFKB1NR2C2NFKB2RELA
SCHEMBL31468673 0.76 CXCR4 (0.49) CXCR4SORDGBA1HRH4HRH3
SCHEMBL21880062 0.75 KMO (0.53) CXCR4SORDGBA1HRH4HRH3
SCHEMBL3406277 0.73 MTNR1A (0.45) MAPTMEN1ALDH1A1TSHRKMT2A
SCHEMBL31706298 0.70 HRH3 (0.52) SORDHRH4HRH3MEN1KMT2A

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 10 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-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
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
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 CXCR4 2252/4885NFKB1 141/4885NR2C2 1470/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 CXCR4 1445/4885NFKB1 126/4885NR2C2 4155/4885

“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.