SCHEMBL17843199

SCHEMBL17843199

CCN(CCc1ccnc(C(C)(C)O)n1)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
SCHEMBL17843197 0.85 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17859123 0.85 HCRTR1 (0.74) HCRTR1HCRTR2
SCHEMBL17843201 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17843162 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17859124 0.83 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL17843392 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17843145 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17845774 0.82 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL17843095 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17843135 0.81 HCRTR1 (0.80) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260136-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-09-14 US claimed
WO-2016100156-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO claimed
US-10239838-B2 Heteroaryl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-03-26 US disclosed
US-10239838-B2 Heteroaryl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-03-26 US disclosed
US-20170260136-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-09-14 US disclosed
US-20170260136-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-09-14 US disclosed
US-20170260136-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-09-14 US disclosed
WO-2016095205-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016100156-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095205-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016100156-A1 HETEROARYL 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-20170260136-A1 HETEROARYL OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885
US-10239838-B2 Heteroaryl 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.