SCHEMBL19894149

SCHEMBL19894149

C[C@H]1CN(C(=O)c2cc(Cl)ccc2-n2nccn2)CCN(c2cc(C(F)F)nc(C3CC3)n2)O1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 19/20 0.44
▸ HCRTR1 O43613 17/20 0.44
▸ CYP3A4 P08684 2/20 0.40

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
SCHEMBL19893973 0.90 HCRTR2 (0.46) HCRTR2HCRTR1
SCHEMBL20212717 0.90 HCRTR2 (0.47) HCRTR2HCRTR1CYP3A4
SCHEMBL20212693 0.81 HCRTR1 (0.53) HCRTR2HCRTR1
SCHEMBL19893868 0.81 HCRTR2 (0.55) HCRTR2HCRTR1CYP3A4
SCHEMBL19893960 0.81 HCRTR2 (0.55) HCRTR2HCRTR1CYP3A4
SCHEMBL19893970 0.79 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL20212729 0.79 HCRTR2 (0.56) HCRTR2HCRTR1
SCHEMBL19893939 0.79 HCRTR1 (0.47) HCRTR2HCRTR1CYP3A4
SCHEMBL20223588 0.78 HCRTR2 (0.48) HCRTR2HCRTR1
SCHEMBL20223607 0.78 HCRTR2 (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HCRTR2 2/4885HCRTR1 1/4885CYP3A4 2297/4885
US-10131653-B2 Heterocyclic compound HCRTR1, HCRTR2, OXTR HCRTR2 2/4885HCRTR1 1/4885CYP3A4 2297/4885

“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.

Send feedback