SCHEMBL13209342

SCHEMBL13209342

CC(C)(C)N1CCC2(CCOCC2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.38
SLC18A3 Q16572 2/20 0.36
AKT1 P31749 3/20 0.35
NOTUM Q6P988 2/20 0.35
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2C P28335 1/20 0.34
P2RY1 P47900 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
OPRM1 P35372 1/20 0.32
GRIN1 Q05586 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN2A Q12879 1/20 0.32

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
SCHEMBL12570390 0.91 SLC18A3 (0.34) ACLYSLC18A3AKT1NOTUMACHE
SCHEMBL12570395 0.89 NOTUM (0.42) SLC18A3NOTUMSIGMAR1P2RY1GRIN2D
SCHEMBL12570376 0.86 ACLY (0.44) ACLYSLC18A3AKT1NOTUMACHE
SCHEMBL13209376 0.81 SIGMAR1 (0.42) SIGMAR1P2RY1KDM1A
SCHEMBL12570398 0.81 ACLY (0.37) ACLYSLC18A3AKT1NOTUMSIGMAR1
SCHEMBL12716111 0.80 SIGMAR1 (0.45) ACLYSLC18A3AKT1NOTUMACHE
SCHEMBL13209393 0.79 P2RY1 (0.48) SIGMAR1P2RY1OPRM1
SCHEMBL12570400 0.77 SIGMAR1 (0.36) NOTUMSIGMAR1
SCHEMBL13209704 0.77 HTR2A (0.36) SLC18A3AKT1NOTUMSIGMAR1HTR2C
SCHEMBL14623133 0.76 ACLY (0.38) ACLYSLC18A3AKT1NOTUMACHE

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-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US 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 (1 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-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 ACLY 4474/4885SLC18A3 3897/4885AKT1 2998/4885

“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.