SCHEMBL21986760

SCHEMBL21986760

COC(=O)c1c(OC)ccc2c1nnn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ ATR Q13535 2/20 0.35
▸ ALDH1A1 P00352 8/20 0.34
▸ HPGD P15428 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ PDE8B O95263 1/20 0.33
▸ GLA P06280 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33

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
SCHEMBL21986898 0.88 SLC6A3 (0.39) MAPTRXRARXRBRXRGATR
SCHEMBL21986732 0.88 CYP4F2 (0.38) MAPTTP53RXRARXRBRXRG
SCHEMBL21986848 0.83 ALDH1A1 (0.39) MAPTTP53ATRALDH1A1HPGD
SCHEMBL21986824 0.81 ATR (0.36) MAPTTP53RXRARXRBRXRG
SCHEMBL21986816 0.79 ATR (0.36) MAPTTP53RXRARXRBRXRG
SCHEMBL21986791 0.78 ALDH1A1 (0.36) MAPTTP53ATRALDH1A1HPGD
SCHEMBL21986911 0.72 CYP4F2 (0.38) MAPTTP53RXRARXRBRXRG
SCHEMBL21986713 0.72 SLC6A3 (0.38) MAPTRXRARXRBRXRGATR
SCHEMBL21550760 0.71 CYP4F2 (0.39) RXRARXRBRXRGATRALDH1A1
SCHEMBL31586146 0.71 PDE8B (0.40) ATRALDH1A1PDE8BGAACYP4F2

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-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — 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 (4 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B MAPT 213/4885TP53 2324/4885RXRA 2630/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B MAPT 213/4885TP53 2324/4885RXRA 2630/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B MAPT 213/4885TP53 2324/4885RXRA 2630/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B MAPT 213/4885TP53 2324/4885RXRA 2630/4885

“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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