SCHEMBL19196848

SCHEMBL19196848

Cc1ccc(-n2nccn2)c(C(=O)N2CCNC(=O)C[C@@H]2C)c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.53
HCRTR1 O43613 16/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL17539231 1.00 HCRTR2 (0.53) HCRTR2HCRTR1CYP3A4
SCHEMBL17495615 1.00 HCRTR2 (0.53) HCRTR2HCRTR1CYP3A4
SCHEMBL17495614 1.00 HCRTR2 (0.53) HCRTR2HCRTR1CYP3A4
SCHEMBL2904344 0.84 HCRTR2 (0.58) HCRTR2HCRTR1CYP3A4
SCHEMBL17830177 0.84 HCRTR2 (0.58) HCRTR2HCRTR1CYP3A4
SCHEMBL903254 0.84 HCRTR2 (0.58) HCRTR2HCRTR1CYP3A4
SCHEMBL8217802 0.84 HCRTR2 (0.58) HCRTR2HCRTR1CYP3A4
Bromide SCHEMBL19894024 0.82 HCRTR2 (0.52) HCRTR2HCRTR1CYP3A4
SCHEMBL17502930 0.80 HCRTR2 (0.52) HCRTR2HCRTR1CYP3A4
SCHEMBL8056064 0.79 HCRTR1 (0.62) HCRTR2HCRTR1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030010-B2 Route of synthesis for the preparation of suvorexant SANDOZ AG (CH) 2018-07-24 US disclosed
US-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant SANDOZ AG (CH) 2017-08-03 US disclosed
US-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant SANDOZ AG (CH) 2017-08-03 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-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant CYP51A1, CYP3A5, HCRTR2 HCRTR2 3/4885HCRTR1 5/4885CYP3A4 6/4885
US-10030010-B2 Route of synthesis for the preparation of suvorexant CYP51A1, CYP3A5, HCRTR2 HCRTR2 3/4885HCRTR1 15/4885CYP3A4 5/4885

“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.