SCHEMBL19196846

SCHEMBL19196846

CC1CC(=O)N(C)CCN1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.39
BRD2 P25440 1/20 0.39
PIK3CD O00329 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34

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
SCHEMBL17433539 0.74 BRD4 (0.41) BRD4BRD2CHRM2CHRM4CHRM5
SCHEMBL17435214 0.73 BRD4 (0.39) BRD4BRD2PIK3CD
SCHEMBL16907750 0.71 BRD4 (0.48) BRD4BRD2CHRM2CHRM4CHRM5
SCHEMBL167424 0.70
SCHEMBL19422887 0.70
SCHEMBL22630165 0.70
SCHEMBL20436910 0.70
SCHEMBL1832056 0.70
SCHEMBL17433530 0.68 BRD4 (0.37) BRD4BRD2CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL29044201 0.68 BRD4 (0.39) BRD4BRD2CHRM2CHRM4CHRM5

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-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

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 BRD4 1558/4885BRD2 2054/4885PIK3CD 1440/4885
US-10030010-B2 Route of synthesis for the preparation of suvorexant CYP51A1, CYP3A5, HCRTR2 BRD4 1976/4885BRD2 2345/4885PIK3CD 1430/4885

“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.