SCHEMBL19689877

SCHEMBL19689877

CCNC(=O)OCCN(C)c1nccc(C#N)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
ACACB O00763 10/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
BCHE P06276 1/20 0.36
CTSK P43235 2/20 0.34
MMP2 P08253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL19689879 0.78 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL19709224 0.77 CTSL (0.47) HCRTR1HCRTR2MTNR1AMTNR1BCTSK
SCHEMBL19689868 0.74 HCRTR1 (0.46) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL17846698 0.73 HCRTR1 (0.62) HCRTR1HCRTR2CTSK
SCHEMBL19700745 0.72 HCRTR1 (0.47) HCRTR1HCRTR2ACACBCTSK
SCHEMBL2959161 0.72 HCRTR1 (0.47) HCRTR1HCRTR2ACACBMTNR1AMTNR1B
SCHEMBL13216855 0.68 ACACB (0.42) HCRTR1HCRTR2ACACBMTNR1AMTNR1B
SCHEMBL24271758 0.65 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL19327073 0.64 ACACB (0.44) ACACBCHRNB2CHRNA4
SCHEMBL23568396 0.63 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4

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 1/4885ACACB 3901/4885
US-10011595-B2 Ethyldiamine orexin receptor antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885ACACB 4001/4885

“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.