SCHEMBL17846752

SCHEMBL17846752

CCN(CCN(C)c1cc(C#N)ccn1)C(=O)c1ccccc1-n1nccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00

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
SCHEMBL17846679 0.94 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17858155 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17846756 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17858104 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17846773 0.89 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL17846663 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17846724 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17846748 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17846791 0.89 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19689855 0.88 HCRTR1 (1.00) HCRTR1HCRTR2

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
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US claimed
US-20170355692-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US claimed
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-10011595-B2 Ethyldiamine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170355692-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170355692-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
US-20170355692-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
WO-2016100161-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016100161-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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 (2 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-20170355692-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885
US-10011595-B2 Ethyldiamine orexin receptor antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885

“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.