SCHEMBL19894124

SCHEMBL19894124

Cc1cc(N2CCN(C(=O)c3ccccc3-n3cccn3)CCO2)nc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 13/20 0.53
▸ HCRTR1 O43613 10/20 0.53
▸ GBA1 P04062 7/20 0.41

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
SCHEMBL19893984 0.89 HCRTR1 (0.50) HCRTR2HCRTR1GBA1
SCHEMBL19893856 0.89 HCRTR1 (0.62) HCRTR2HCRTR1
SCHEMBL19893969 0.84 HCRTR2 (0.50) HCRTR2HCRTR1GBA1
SCHEMBL19903016 0.84 HCRTR1 (0.61) HCRTR2HCRTR1
SCHEMBL19894022 0.82 GBA1 (0.45) HCRTR2HCRTR1GBA1
SCHEMBL20212709 0.81 HCRTR1 (0.48) HCRTR2HCRTR1GBA1
SCHEMBL22383538 0.80 HCRTR1 (0.49) HCRTR2HCRTR1GBA1
SCHEMBL20223577 0.79 HCRTR1 (0.52) HCRTR2HCRTR1GBA1
Hydrochloric Acid SCHEMBL20212725 0.79 HCRTR1 (0.51) HCRTR2HCRTR1GBA1
SCHEMBL19893898 0.79 HCRTR1 (0.52) HCRTR2HCRTR1

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 4 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-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 HCRTR2 2/4885HCRTR1 1/4885GBA1 1208/4885

“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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