SCHEMBL19893989

SCHEMBL19893989

Cc1cc(N2CCN(C(=O)O)C[C@H](C)O2)nc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.35
▸ HCRTR2 O43614 4/20 0.35
▸ GBA1 P04062 7/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SORD Q00796 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL19893897 0.80 HCRTR1 (0.41) HCRTR1HCRTR2ALDH1A1MEN1HPGD
SCHEMBL19894145 0.79 HCRTR2 (0.43) HCRTR1HCRTR2GBA1ALDH1A1MEN1
SCHEMBL19893839 0.79 HCRTR1 (0.32) HCRTR1HCRTR2SORD
SCHEMBL19893927 0.78 HCRTR1 (0.40) HCRTR1HCRTR2GBA1ALDH1A1HPGD
SCHEMBL19893888 0.78 HCRTR1 (0.52) HCRTR1HCRTR2GBA1ALDH1A1HPGD
SCHEMBL19893887 0.78 HCRTR1 (0.52) HCRTR1HCRTR2GBA1ALDH1A1HPGD
SCHEMBL19893925 0.78 HCRTR2 (0.53) HCRTR1HCRTR2
SCHEMBL19893838 0.78 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL19893892 0.77 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL19894035 0.76 HCRTR1 (0.45) 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 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-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
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 2/4885GBA1 1208/4885
US-10131653-B2 Heterocyclic compound HCRTR1, HCRTR2, OXTR HCRTR1 1/4885HCRTR2 2/4885GBA1 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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