SCHEMBL13439730

SCHEMBL13439730

CC(C)(C)c1cccc(OC2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.56
HRH3 Q9Y5N1 3/20 0.54
ROCK1 Q13464 2/20 0.54
ROCK2 O75116 1/20 0.54
CCR2 P41597 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
SIGMAR1 Q99720 1/20 0.49
ACHE P22303 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL13439732 0.93 OPRK1 (0.53) OPRK1SMN1; SMN2GAAHRH3ROCK1
SCHEMBL13439733 0.93 OPRK1 (0.53) OPRK1SMN1; SMN2GAAHRH3ROCK1
SCHEMBL10607349 0.88 OPRK1 (0.61) OPRK1SMN1; SMN2GAAHRH3ROCK1
Hydrochloric Acid SCHEMBL10607357 0.86 OPRK1 (0.60) OPRK1SMN1; SMN2GAAHRH3ROCK1
SCHEMBL13439728 0.86 ROCK1 (0.58) OPRK1ROCK1ROCK2CCR2MAOB
SCHEMBL13439723 0.86 ROCK1 (0.58) OPRK1ROCK1ROCK2CCR2MAOB
SCHEMBL13439718 0.86 SMN1; SMN2 (0.67) OPRK1SMN1; SMN2GAAHRH3ROCK1
SCHEMBL11742319 0.83 OPRK1 (0.65) OPRK1SMN1; SMN2GAAHRH3ROCK1
SCHEMBL13462821 0.83 OPRK1 (0.65) OPRK1SMN1; SMN2GAAHRH3ROCK1
SCHEMBL4855546 0.82 HRH3 (0.74) OPRK1SMN1; SMN2GAAHRH3ROCK1

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 OPRK1 416/4885SMN1; SMN2 3807/4885GAA 2095/4885

“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.