SCHEMBL19893906

SCHEMBL19893906

CCc1ccc(-n2nccn2)c(C(=O)N2CCN(c3cc(C)nc(C)n3)O[C@@H](C)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 20/20 0.51
▸ HCRTR2 O43614 20/20 0.51

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
SCHEMBL20212694 0.88 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL19893868 0.88 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL19893960 0.88 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL19893838 0.87 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL19894131 0.86 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL20212722 0.85 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL19893892 0.84 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL20223607 0.83 HCRTR2 (0.48) HCRTR1HCRTR2
SCHEMBL19894026 0.83 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL19893912 0.83 HCRTR1 (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
US-10131653-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-20 — — US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — US disclosed
US-20180155333-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — US disclosed
EP-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 — — EP 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-20180155333-A1 Heterocyclic Compound HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 2/4885
US-10131653-B2 Heterocyclic compound HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 2/4885

“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.

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