SCHEMBL17858005

SCHEMBL17858005

CCNCCN(C)c1cc(C#N)ccn1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.48
HCRTR2 O43614 20/20 0.48

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
Hydrochloric Acid SCHEMBL17846695 0.99 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL22268674 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL17846686 0.81 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1319504 0.81 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL17858157 0.80 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL19689879 0.75 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL17858003 0.74 CKS1B (0.52) HCRTR1HCRTR2
SCHEMBL17846747 0.74 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL17843154 0.74 CCNC (0.41)
SCHEMBL932647 0.73 HCRTR1 (0.41) 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 5 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 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
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.