SCHEMBL3328623

SCHEMBL3328623

CCOC(=O)c1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SHMT2 P34897 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
LGMN Q99538 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 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
SCHEMBL1580417 0.83 SMN1; SMN2 (0.49) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3327301 0.82 MAPT (0.49) MAPTKMT2AMEN1SMN1; SMN2CYP2C19
SCHEMBL31297178 0.81 SHMT2 (0.59) MAPTSHMT2KMT2AMEN1SMN1; SMN2
SCHEMBL4170972 0.81 MAPT (0.48) MAPTKMT2AMEN1SMN1; SMN2CYP2C19
SCHEMBL27815258 0.79 RAB9A (0.38) MAPTKMT2AMEN1SMN1; SMN2CYP2C19
SCHEMBL1579564 0.77 P2RY12 (0.44) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
Tert-Butyl Formate SCHEMBL27815259 0.76 ADRB2 (0.44) KMT2AMEN1ALDH1A1RXFP1
SCHEMBL3326910 0.75 MAPT (0.44) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3325994 0.75 P2RY12 (0.63) MAPTCYP2C19GAA
SCHEMBL25189130 0.74 MEN1 (0.43) MAPTSHMT2KMT2AMEN1SMN1; 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 6 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-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US 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
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 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 (3 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 MAPT 3875/4885SHMT2 1405/4885KMT2A 4487/4885
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 MAPT 4725/4885SHMT2 1748/4885KMT2A 4239/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 MAPT 3560/4885SHMT2 1401/4885KMT2A 4675/4885

“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.