SCHEMBL2864662

SCHEMBL2864662

Cc1cccc2oc(N3CCN(C(=O)c4ccccc4-n4nccn4)C(C)C(C)C3)nc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.51
HCRTR1 O43613 16/20 0.51
NR1I2 O75469 1/20 0.44
ADRA2B P18089 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 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
SCHEMBL13097827 0.82 HCRTR2 (0.45) HCRTR2HCRTR1
SCHEMBL2857947 0.81 HCRTR1 (0.57) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL2860298 0.81 HCRTR1 (0.54) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL2862608 0.81 HCRTR2 (0.51) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL2878496 0.79 HCRTR2 (0.53) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL1822065 0.79 HCRTR2 (0.79) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL1818884 0.79 HCRTR2 (0.79) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL3101408 0.77 HCRTR2 (0.47) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL2858331 0.75 HCRTR2 (0.61) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL18910851 0.70 HCRTR1 (0.70) HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US claimed
EP-2214676-B1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-21 EP claimed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 US claimed
EP-2214676-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-11 EP claimed
WO-2009058238-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-05-07 WO claimed
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer Inserm (Institut National de la Santa et de la Recherche Medicale) (FR) 2021-01-19 US disclosed
US-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-05-23 US disclosed
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-03-21 US disclosed
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-8362009-B2 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
EP-2214676-B1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-21 EP disclosed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-07 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 (4 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-20190151304-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATORY HCRTR1, HCRTR2, OXTR HCRTR2 2/4885HCRTR1 1/4885NR1I2 1403/4885
US-10894042-B2 Methods and pharmaceutical compositions for the treatment of cancer OXTR, OGFR, OXGR1 HCRTR2 14/4885HCRTR1 18/4885NR1I2 1301/4885
US-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HCRTR1 2/4885NR1I2 261/4885
US-20190083508-A1 USE OF OX1R ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES GPR180, OXGR1, MLNR HCRTR2 17/4885HCRTR1 22/4885NR1I2 768/4885

“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.