SCHEMBL509766

SCHEMBL509766

CCOC(=O)c1[nH]c(C)c(Cl)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 2/20 0.49
KDM4E B2RXH2 3/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 7/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL3405307 0.88 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL405644 0.81 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL3120962 0.80 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3036660 0.78 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL510531 0.78 KDM4E (0.49) HPGDKDM4EATMALDH1A1LMNA
SCHEMBL402460 0.78 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL13070798 0.77 KDM4E (0.47) HPGDKDM4EATMALDH1A1LMNA
SCHEMBL4791633 0.76 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL509748 0.76 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
Bromide SCHEMBL5263962 0.74 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HPGDALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 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
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-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 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
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 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 (4 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 CYP1A2 252/4885CYP2C9 157/4885CYP2C19 37/4885
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 CYP1A2 391/4885CYP2C9 201/4885CYP2C19 70/4885
US-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR CYP1A2 33/4885CYP2C9 6/4885CYP2C19 7/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 CYP1A2 602/4885CYP2C9 154/4885CYP2C19 79/4885

“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.