SCHEMBL13439732

SCHEMBL13439732

CC(C)(C)c1cccc(OC2CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.53
FFAR1 O14842 1/20 0.52
MCHR1 Q99705 3/20 0.50
ROCK1 Q13464 6/20 0.49
ROCK2 O75116 4/20 0.49
CCR2 P41597 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CACNA2D1 P54289 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 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
SCHEMBL13439733 1.00 OPRK1 (0.53) OPRK1FFAR1MCHR1ROCK1ROCK2
SCHEMBL13439728 0.93 ROCK1 (0.58) OPRK1FFAR1MCHR1ROCK1ROCK2
SCHEMBL13439723 0.93 ROCK1 (0.58) OPRK1FFAR1MCHR1ROCK1ROCK2
SCHEMBL13439730 0.93 OPRK1 (0.61) OPRK1ROCK1ROCK2CCR2GAA
SCHEMBL69885 0.88 FFAR1 (0.64) OPRK1FFAR1ROCK1ROCK2CCR2
Hydrochloric Acid SCHEMBL10608022 0.87 FFAR1 (0.63) OPRK1FFAR1ROCK1ROCK2CCR2
SCHEMBL13462928 0.84 OPRK1 (0.56) OPRK1FFAR1MCHR1ROCK1ROCK2
SCHEMBL10605824 0.84 BCHE (0.56) OPRK1MCHR1ROCK1ROCK2CCR2
SCHEMBL10607225 0.84 OPRK1 (0.56) OPRK1FFAR1MCHR1ROCK1ROCK2
SCHEMBL10606014 0.84 SIGMAR1 (0.60) OPRK1MCHR1ROCK1ROCK2CCR2

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 416/4885FFAR1 112/4885MCHR1 1453/4885

“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.