SCHEMBL13439758

SCHEMBL13439758

CC(C)CN1CCC(COc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.49
▸ P2RY1 P47900 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL14159031 0.83 HRH3 (0.51) HRH3SIGMAR1
SCHEMBL13498014 0.81 KDM4E (0.51) HRH3KDM4E
SCHEMBL11937213 0.81 DRD2 (0.52) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13439757 0.80 P2RY1 (0.56) HRH3P2RY1
SCHEMBL13439681 0.79 MAOA (0.54) —
SCHEMBL20347959 0.78 PARP15 (0.53) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11937240 0.78 PARP15 (0.53) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13110224 0.76 PARP15 (0.54) HRH3ALDH1A1KDM4E
SCHEMBL9347958 0.76 SLC18A3 (0.46) SIGMAR1
SCHEMBL13439722 0.74 SLC6A5 (0.49) —

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 HRH3 118/4885P2RY1 1/4885USP2 575/4885

“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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