SCHEMBL3101408

SCHEMBL3101408

Cc1ccc(-c2ncco2)c(C(=O)N2CCN(c3nc4c(C)cccc4o3)CC(C)C2C)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.47
HCRTR1 O43613 16/20 0.47
SMO Q99835 1/20 0.36
NR1I2 O75469 1/20 0.36
ADRA2B P18089 1/20 0.36
KCNH2 Q12809 1/20 0.36
NAAA Q02083 1/20 0.36

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 0.92 HCRTR2 (0.45) HCRTR2HCRTR1SMONAAA
SCHEMBL3107028 0.78 HCRTR1 (0.43) HCRTR2HCRTR1SMO
SCHEMBL2864662 0.77 HCRTR2 (0.51) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL2878496 0.74 HCRTR2 (0.53) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL8062603 0.73 HCRTR1 (0.49) HCRTR2HCRTR1
SCHEMBL1818884 0.70 HCRTR2 (0.79) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL1822065 0.70 HCRTR2 (0.79) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL2858331 0.67 HCRTR2 (0.61) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL16464605 0.64 CSNK2A1 (0.46) HCRTR2HCRTR1
SCHEMBL16465947 0.64 HCRTR1 (1.00) 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 6 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
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

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-20100256121-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HCRTR1 2/4885SMO 901/4885

“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.