SCHEMBL13439757

SCHEMBL13439757

CC(C)CN1CCC(COc2ccc(C(C)(C)C)c(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41

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
SCHEMBL13439736 0.89 P2RY1 (0.57) P2RY1KCNH2
SCHEMBL21718879 0.84 PARP10 (0.48) P2RY1KCNH2TRPV4
SCHEMBL14159048 0.83 P2RY1 (0.47) P2RY1KCNH2HRH3
SCHEMBL13439685 0.82 P2RY1 (0.58) P2RY1
SCHEMBL13439758 0.80 HRH3 (0.49) P2RY1HRH3
SCHEMBL14159031 0.75 HRH3 (0.51) HRH3
SCHEMBL13450959 0.73 P2RY1 (0.49) P2RY1
SCHEMBL20206821 0.73 PARP10 (0.45) KCNH2
SCHEMBL14159071 0.72 P2RY1 (0.48) P2RY1
SCHEMBL1033962 0.71 SLC6A4 (0.52) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 — — US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 — — 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 P2RY1 1/4885KCNH2 2493/4885HRH3 118/4885

“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.

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