SCHEMBL2573508

SCHEMBL2573508

COc1cc(-n2ccc(OCc3ccc(F)cc3)cc2=O)ccc1OCC(C)(C)CO

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.52
KCNH2 Q12809 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL12040451 0.92 MCHR1 (0.54) MCHR1KCNH2HRH3
SCHEMBL2563900 0.90 MCHR1 (0.60) MCHR1KCNH2HRH3
SCHEMBL2574513 0.86 MCHR1 (0.60) MCHR1KCNH2HRH3
SCHEMBL2575708 0.85 MCHR1 (0.51) MCHR1KCNH2HRH3
SCHEMBL12040564 0.84 MCHR1 (0.47) MCHR1KCNH2HRH3
SCHEMBL14151155 0.83 MCHR1 (0.53) MCHR1KCNH2HRH3
SCHEMBL12285011 0.83 MCHR1 (0.52) MCHR1KCNH2HRH3
SCHEMBL12040419 0.82 MCHR1 (0.50) MCHR1KCNH2HRH3
SCHEMBL12040429 0.82 MCHR1 (0.61) MCHR1KCNH2
SCHEMBL12284340 0.82 MCHR1 (0.58) MCHR1KCNH2HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US claimed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO claimed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 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-20120316200-A1 PYRIDONE DERIVATIVES MC1R, MC5R, MCHR1 MCHR1 3/4885KCNH2 3313/4885HRH3 454/4885

“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.