SCHEMBL3552106

SCHEMBL3552106

CC(C)(C)c1ccccc1Oc1ncccc1Nc1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 20/20 0.66
P2RY14 Q15391 2/20 0.56

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
SCHEMBL3558726 0.85 P2RY1 (0.70) P2RY1P2RY14
SCHEMBL3541865 0.82 P2RY1 (0.54) P2RY1P2RY14
SCHEMBL1424658 0.81 KMT2A (0.57) P2RY1P2RY14
SCHEMBL5031479 0.81 P2RY1 (0.56) P2RY1P2RY14
SCHEMBL3541629 0.81 P2RY1 (0.61) P2RY1
SCHEMBL1306961 0.80 P2RY1 (0.61) P2RY1P2RY14
SCHEMBL3552405 0.80 P2RY1 (0.57) P2RY1P2RY14
SCHEMBL3553727 0.78 P2RY1 (0.61) P2RY1P2RY14
SCHEMBL5034817 0.78 P2RY1 (0.57) P2RY1
SCHEMBL3545698 0.78 P2RY1 (0.61) P2RY1P2RY14

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-7714002-B2 Carbocycle and heterocycle antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US claimed
US-7714002-B2 Carbocycle and heterocycle antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-11 US disclosed
WO-2007002634-A1 CARBOCYCLE AND HETEROCYCLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060293522-A1 Carbocycle and heterocycle antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20060293522-A1 Carbocycle and heterocycle antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY13 P2RY1 1/4885P2RY14 8/4885

“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.