SCHEMBL4317233

SCHEMBL4317233

COc1cccc(OC)c1C(=O)N1CCCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 2/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
HCRTR1 O43613 2/20 0.55
HCRTR2 O43614 2/20 0.55
CCKAR P32238 1/20 0.50
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
PDE10A Q9Y233 1/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CYP1A2 P05177 1/20 0.48
THPO P40225 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 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
SCHEMBL4313327 0.83 HCRTR2 (0.60) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3403515 0.75 NPC1 (1.00) KDM4EALDH1A1HSD17B10TSHRNPC1
SCHEMBL27722985 0.74 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL29944122 0.74 KMT2A (0.63) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL30824499 0.74 HRH3 (0.71) KDM4EALDH1A1HSD17B10HPGDNPC1
SCHEMBL29931500 0.73 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4314506 0.73 FAAH (0.65) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL5239212 0.73 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4314484 0.72 HCRTR1 (0.59) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4319929 0.71 HCRTR1 (1.00) KDM4EALDH1A1HPGDNPC1RAB9A

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 KDM4E 2035/4885ALDH1A1 3555/4885HSD17B10 2082/4885

“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.