SCHEMBL12378863

SCHEMBL12378863

C[C@@H]1CCN(c2nc3cc(Cl)ccc3o2)CCN1C(=O)c1ccccc1-n1nccn1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.83
HCRTR1 O43613 13/20 0.83
NR1I2 O75469 1/20 0.83
ADRA2B P18089 1/20 0.83
KCNH2 Q12809 1/20 0.83

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
Suvorexant SCHEMBL13731245 0.91 HCRTR2 (1.00) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
Suvorexant SCHEMBL1586289 0.91 HCRTR2 (1.00) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
Suvorexant SCHEMBL1820881 0.91 HCRTR2 (1.00) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
Suvorexant SCHEMBL17539233 0.91 HCRTR2 (1.00) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
Suvorexant SCHEMBL29357712 0.91 HCRTR2 (1.00) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
Suvorexant SCHEMBL29596480 0.91 HCRTR2 (1.00) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL13372948 0.89 HCRTR2 (0.85) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL1653764 0.89 HCRTR2 (0.84) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL1818107 0.89 HCRTR2 (0.84) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL1651046 0.88 HCRTR2 (0.82) HCRTR2HCRTR1NR1I2ADRA2BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195957-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-08-11 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-20110195957-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 HCRTR2 1/4885HCRTR1 2/4885NR1I2 274/4885

“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.