SCHEMBL19894145

SCHEMBL19894145

COC(=O)c1ccccc1C(=O)N1CCN(c2cc(C)nc(C)n2)O[C@@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 4/20 0.43
▸ HCRTR1 O43613 3/20 0.43
▸ GBA1 P04062 10/20 0.42
▸ EPHX1 P07099 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL19893887 0.84 HCRTR1 (0.52) HCRTR2HCRTR1GBA1KDM4EALDH1A1
SCHEMBL19893888 0.84 HCRTR1 (0.52) HCRTR2HCRTR1GBA1KDM4EALDH1A1
SCHEMBL19893925 0.83 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL19893838 0.83 HCRTR1 (0.65) HCRTR2HCRTR1
SCHEMBL19894014 0.81 HCRTR1 (0.41) HCRTR2HCRTR1GBA1ALDH1A1
SCHEMBL19893945 0.81 HCRTR1 (0.42) HCRTR2HCRTR1ALDH1A1MAPT
SCHEMBL20212730 0.80 HCRTR1 (0.42) HCRTR2HCRTR1GBA1
SCHEMBL19893897 0.80 HCRTR1 (0.41) HCRTR2HCRTR1MEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL20212710 0.79 HCRTR1 (0.42) HCRTR2HCRTR1GBA1
SCHEMBL19893989 0.79 HCRTR1 (0.35) HCRTR2HCRTR1GBA1KDM4EMEN1

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 1/4885GBA1 1208/4885
US-10131653-B2 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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