SCHEMBL19903040

SCHEMBL19903040

COc1cccnc1N1CCN(C(=O)c2cc(C)ccc2-n2nccn2)[C@H](C)CO1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.56
HCRTR2 O43614 18/20 0.54

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
SCHEMBL19894048 0.90 HCRTR2 (0.59) HCRTR1HCRTR2
SCHEMBL19894100 0.88 HCRTR2 (0.54) HCRTR1HCRTR2
SCHEMBL19903042 0.83 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL19893968 0.83 HCRTR2 (0.55) HCRTR1HCRTR2
SCHEMBL19894044 0.82 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL19893953 0.82 HCRTR2 (0.52) HCRTR1HCRTR2
SCHEMBL20223595 0.82 HCRTR2 (0.58) HCRTR1HCRTR2
SCHEMBL19893956 0.81 HCRTR2 (0.51) HCRTR1HCRTR2
SCHEMBL19894011 0.81 HCRTR2 (0.53) HCRTR1HCRTR2
SCHEMBL20223599 0.81 HCRTR2 (0.53) 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 5 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
EP-3287454-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP 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 (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-20180155333-A1 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.