SCHEMBL19689868

SCHEMBL19689868

CCNC(=O)OCCN(C)c1nc(C)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.46
HCRTR2 O43614 15/20 0.46
CREBBP Q92793 1/20 0.45
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL19689877 0.74 HCRTR1 (0.46) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL17846619 0.73 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL24271758 0.71 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17858035 0.71 CKS1B (0.51) HCRTR1HCRTR2
SCHEMBL23302997 0.70 HTT (0.50) HCRTR1HCRTR2HTT
SCHEMBL12870953 0.69 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL17858033 0.69 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL23568396 0.69 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL19689878 0.68 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL12295196 0.68 HCRTR1 (0.42) 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 2 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-20170355692-A1 ETHYLDIAMINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 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 (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 1/4885CREBBP 591/4885
US-10011595-B2 Ethyldiamine orexin receptor antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885CREBBP 693/4885

“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.