SCHEMBL509880

SCHEMBL509880

CCN1CCN(c2ccnc(C(=O)CC(=O)OC)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
ZAP70 P43403 1/20 0.40
SORD Q00796 4/20 0.40
RAD52 P43351 3/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FGFR3 P22607 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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) HRH3SORDHRH4KMT2AKDM4E
SCHEMBL510428 0.87 HRH4 (0.40) SORDHRH4TRPV1WNT1GSK3B
SCHEMBL509702 0.86 CXCR4 (0.45) HRH3SORDMAPTTP53HRH4
SCHEMBL509389 0.84 PIK3CA (0.47) MAPTRAB9AKMT2AKDM4EALDH1A1
SCHEMBL509749 0.82 SORD (0.56) HRH3SORDRAD52MAPTNPC1
SCHEMBL10212801 0.81 HRH3 (0.45) HRH3SORDRAD52RECQLBLM
SCHEMBL31704767 0.72 CKS1B (0.49) HRH3SORDMAPTNPC1RAB9A
SCHEMBL15260204 0.70 HRH3 (0.51) HRH3SORDHRH4TRPV1
SCHEMBL3406277 0.70 MTNR1A (0.45) MAPTSMN1; SMN2POLBKMT2AKDM4E
SCHEMBL27901036 0.70 HRH3 (0.69) HRH3SORDRAD52MAPTSMN1; SMN2

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 HRH3 1206/4885ZAP70 470/4885SORD 284/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 HRH3 1190/4885ZAP70 168/4885SORD 91/4885

“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.