SCHEMBL4313174

SCHEMBL4313174

Cc1nc(C(=O)N2CCCN(c3nc4ccccc4o3)CC2)c(-c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.52
HCRTR2 O43614 8/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.49
NAAA Q02083 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
MGLL Q99685 2/20 0.47
HCAR2 Q8TDS4 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
SCHEMBL4320624 0.78 GAA (0.53) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL4314484 0.74 HCRTR1 (0.59) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL5318590 0.73 GAA (0.67) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL14844120 0.73 HCRTR2 (0.48) HCRTR1HCRTR2
SCHEMBL2624458 0.73 SORD (0.58) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL3264562 0.72 GAA (0.59) LMNAHTTSMN1; SMN2TSHRNAAA
SCHEMBL30903262 0.71 ELANE (0.57) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL2624596 0.71 LMNA (0.75) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL4322313 0.71 NAAA (0.63) HCRTR1HCRTR2LMNAHTTSMN1; SMN2
SCHEMBL2624594 0.71 LMNA (0.61) LMNAHTTSMN1; SMN2TSHRNAAA

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 10 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-A2 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-12-17 EP claimed
WO-2007126935-A2 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-08 WO 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.