SCHEMBL13439722

SCHEMBL13439722

CC(C)(C)c1ccc(OCC2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49

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
SCHEMBL13439681 0.93 MAOA (0.54) MAOAACHEMAOB
SCHEMBL13450157 0.86 ACHE (0.54) MAOAACHEMAOB
SCHEMBL13462929 0.85 DRD4 (0.53) DRD2DRD4
SCHEMBL14159043 0.83 ACHE (0.56) MAOAACHEMAOB
SCHEMBL13439751 0.81 MEN1 (0.46) ACHE
SCHEMBL6269191 0.80 LTA4H (0.54) SLC6A5MAOAACHEMAOB
SCHEMBL23179012 0.79 CCR3 (0.53) ACHEDRD2DRD4
SCHEMBL8549837 0.79 CCR3 (0.63) DRD2
SCHEMBL23205834 0.79 CCR3 (0.58) ACHEDRD2DRD4
SCHEMBL6270297 0.78 CHEK2 (0.51) SLC6A5MAOAMAOB

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 SLC6A5 3945/4885MAOA 2485/4885ACHE 3689/4885

“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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