SCHEMBL3154666

SCHEMBL3154666

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1ccccc1N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 19/20 0.68
P2RY14 Q15391 2/20 0.68
P2RY2 P41231 1/20 0.67
KCNH2 Q12809 3/20 0.62
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL3159970 0.99 P2RY1 (0.69) P2RY1P2RY14P2RY2KCNH2KDM4E
SCHEMBL3151066 0.91 P2RY1 (0.66) P2RY1P2RY14P2RY2KCNH2GAA
SCHEMBL24653694 0.90 P2RY1 (0.69) P2RY1P2RY14P2RY2KCNH2
SCHEMBL3158476 0.88 P2RY1 (0.75) P2RY1P2RY14P2RY2KCNH2
SCHEMBL3150582 0.85 P2RY1 (0.81) P2RY1P2RY14P2RY2KCNH2
SCHEMBL3158047 0.82 P2RY1 (0.77) P2RY1P2RY14P2RY2KCNH2
SCHEMBL3159977 0.82 P2RY1 (0.87) P2RY1P2RY14P2RY2KCNH2
SCHEMBL3157933 0.82 P2RY1 (0.77) P2RY1P2RY14P2RY2KCNH2
SCHEMBL24654132 0.82 P2RY1 (0.67) P2RY1P2RY14P2RY2KCNH2
SCHEMBL3259745 0.81 P2RY1 (0.75) P2RY1P2RY14P2RY2KCNH2

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
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP claimed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US claimed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP claimed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO claimed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO claimed
EP-4094762-A1 TREATMENT OF NEUROLOGICAL INDICATIONS UCL Business Ltd (GB) 2022-11-30 EP 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-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 P2RY1 1/4885P2RY14 14/4885P2RY2 3/4885

“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.