SCHEMBL3328130

SCHEMBL3328130

CCOC(=O)c1cc(Cl)c(N2CCC(C(=O)O)CC2)nc1SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRK1 P41145 5/20 0.41
P2RY12 Q9H244 5/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD3 P35462 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
OPRM1 P35372 1/20 0.38

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
SCHEMBL3326910 0.87 MAPT (0.44) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL4880160 0.87 OPRK1 (0.53) MAPTKDM4EHPGDUSP2NPSR1
SCHEMBL4739435 0.84 HSD11B1 (0.42) MAPTKDM4EHPGDUSP2NPSR1
SCHEMBL3327146 0.82 P2RY12 (0.65) P2RY12CHRM2CYP3A4CYP2C9DRD3
SCHEMBL3324636 0.80 P2RY12 (0.58) P2RY12CHRM2CYP3A4CYP2C9DRD3
SCHEMBL4742022 0.78 OPRK1 (0.39) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL3933293 0.76 P2RY12 (0.62) P2RY12
SCHEMBL4876930 0.76 P2RY12 (0.49) MAPTKDM4EHPGDOPRK1P2RY12
SCHEMBL4104827 0.74 NEK2 (0.45) MEN1KMT2AMAPTUSP2OPRK1
SCHEMBL3328347 0.74 L3MBTL1 (0.56) MEN1KMT2AMAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 MEN1 2735/4885KMT2A 4487/4885MAPT 3875/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 MEN1 2602/4885KMT2A 4675/4885MAPT 3560/4885

“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.