SCHEMBL4314484

SCHEMBL4314484

COc1cccc(-c2ccccc2)c1C(=O)N1CCCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.59
HCRTR2 O43614 6/20 0.59
LMNA P02545 3/20 0.59
TSHR P16473 2/20 0.59
GAA P10253 2/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAAA Q02083 1/20 0.48
MAPT P10636 2/20 0.47
HCAR2 Q8TDS4 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL4320624 0.88 GAA (0.53) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL2624596 0.79 LMNA (0.75) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL4322323 0.78 HCRTR1 (0.67) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL2624459 0.78 HCRTR1 (0.72) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL4310762 0.77 HCRTR1 (0.72) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL4325596 0.77 HCRTR1 (0.71) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL14484106 0.76 LMNA (0.69) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL4312769 0.75 HCRTR1 (0.68) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL1672524 0.75 HCRTR1 (1.00) HCRTR1HCRTR2LMNATSHRGAA
SCHEMBL4313174 0.74 HCRTR1 (0.52) HCRTR1HCRTR2LMNATSHRGAA

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 8 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
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
WO-2007126935-A2 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-08 WO 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 1/4885LMNA 3184/4885

“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.