SCHEMBL4325596

SCHEMBL4325596

COc1cccc(OC)c1C(=O)N1CCN(c2nc3ccccc3o2)CC(OC)C1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.71
HCRTR2 O43614 7/20 0.71
TSHR P16473 4/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
MGLL Q99685 1/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
NAAA Q02083 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL4310762 0.89 HCRTR1 (0.72) HCRTR1HCRTR2TSHRLMNAGAA
SCHEMBL4312769 0.87 HCRTR1 (0.68) HCRTR1HCRTR2TSHRLMNAGAA
SCHEMBL17066796 0.85 HCRTR1 (0.66) HCRTR1HCRTR2TSHRLMNAGAA
SCHEMBL1672524 0.83 HCRTR1 (1.00) HCRTR1HCRTR2TSHRLMNAGAA
SCHEMBL4322323 0.82 HCRTR1 (0.67) HCRTR1HCRTR2TSHRLMNAGAA
SCHEMBL1586374 0.78 HCRTR1 (0.67) HCRTR1HCRTR2TSHRLMNAGAA
SCHEMBL1671777 0.78 HCRTR1 (0.85) HCRTR1HCRTR2TSHRLMNAMAPT
SCHEMBL4314484 0.77 HCRTR1 (0.59) HCRTR1HCRTR2TSHRLMNAGAA
SCHEMBL4243332 0.76 HCRTR1 (0.60) HCRTR1HCRTR2LMNA
SCHEMBL29784238 0.75 MGLL (0.54) HCRTR1HCRTR2TSHRLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP claimed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US claimed
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 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-20090124603-A1 Diazepan Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSHR 236/4885

“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.