SCHEMBL19345643

SCHEMBL19345643

CN1CC2CN(C(=O)c3c(F)cccc3-n3nccn3)CC2C1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.70
HCRTR2 O43614 20/20 0.70

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
SCHEMBL27029922 0.89 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL11909712 0.86 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1671043 0.85 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL29713616 0.85 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL30443074 0.85 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL27029982 0.85 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1671087 0.84 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL27056184 0.84 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL30443501 0.84 HCRTR1 (0.63) HCRTR1HCRTR2
Seltorexant SCHEMBL19341242 0.82 HCRTR1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258790-A1 Methods Of Treating Depression Using Orexin-2 Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 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 (1 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-20170258790-A1 Methods Of Treating Depression Using Orexin-2 Receptor Antagonists HCRTR2, HCRTR1, CRHR2 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.