SCHEMBL19894085

SCHEMBL19894085

Cc1cc(N2CCN(C(=O)c3cc(Cl)ccc3-n3nccn3)[C@H](C)CO2)nc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 20/20 0.50
▸ HCRTR1 O43613 16/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ CYP3A4 P08684 2/20 0.45

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
SCHEMBL20212706 0.91 HCRTR2 (0.51) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL19893893 0.90 HCRTR2 (0.59) HCRTR2HCRTR1
SCHEMBL19893987 0.88 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL19894084 0.88 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL19894028 0.85 HCRTR1 (0.34) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL19893971 0.84 HCRTR1 (0.44) HCRTR2HCRTR1
SCHEMBL20223598 0.83 HCRTR2 (0.52) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL19893874 0.83 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL19893911 0.83 HCRTR2 (0.58) HCRTR2HCRTR1NR1I2ADRA2BKCNH2
SCHEMBL19893868 0.81 HCRTR2 (0.55) 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 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 HCRTR2 2/4885HCRTR1 1/4885NR1I2 199/4885
US-10131653-B2 Heterocyclic compound HCRTR1, HCRTR2, OXTR HCRTR2 2/4885HCRTR1 1/4885NR1I2 199/4885

“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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