SCHEMBL509244

SCHEMBL509244

CCOC(=O)N1CC[C@@H](NCc2ccccc2)[C@@H](OCC)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
KDM4E B2RXH2 1/20 0.49
CHRM5 P08912 4/20 0.48
CHRM2 P08172 3/20 0.48
CHRM3 P20309 2/20 0.48
CHRM1 P11229 4/20 0.47
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 1/20 0.45
CCR8 P51685 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
BRD4 O60885 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL9721614 0.93 MEN1 (0.50) KMT2AMEN1KDM4ECHRM5CHRM2
SCHEMBL9721620 0.93 MEN1 (0.50) KMT2AMEN1KDM4ECHRM5CHRM2
SCHEMBL9721629 0.93 MEN1 (0.50) KMT2AMEN1KDM4ECHRM5CHRM2
SCHEMBL9721508 0.91 KMT2A (0.52) KMT2AMEN1KDM4ECHRM5CHRM2
SCHEMBL9721525 0.91 KMT2A (0.52) KMT2AMEN1KDM4ECHRM5CHRM2
SCHEMBL9721517 0.91 KMT2A (0.52) KMT2AMEN1KDM4ECHRM5CHRM2
SCHEMBL509084 0.91 MEN1 (0.43) KMT2AMEN1KDM4ECHRM5CHRM2
SCHEMBL2857742 0.91 MEN1 (0.43) KMT2AMEN1KDM4ECHRM5CHRM2
Hydrochloric Acid SCHEMBL9721702 0.90 KMT2A (0.51) KMT2AMEN1KDM4ECHRM5CHRM2
Hydrochloric Acid SCHEMBL9721712 0.90 KMT2A (0.51) KMT2AMEN1KDM4ECHRM5CHRM2

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 9 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
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

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 KMT2A 3799/4885MEN1 2734/4885KDM4E 3919/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 KMT2A 3884/4885MEN1 3030/4885KDM4E 2849/4885

“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.