SCHEMBL21986898

SCHEMBL21986898

COC(=O)c1c(Cl)ccc2c1nnn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 6/20 0.39
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ YTHDC1 Q96MU7 1/20 0.34
▸ PDE8B O95263 1/20 0.34
▸ HCAR3 P49019 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL21986732 0.89 CYP4F2 (0.38) SLC6A3RXRARXRBRXRGATR
SCHEMBL21986760 0.88 MAPT (0.38) RXRARXRBRXRGATRPDE8B
SCHEMBL21986713 0.83 SLC6A3 (0.38) SLC6A3RXRARXRBRXRGATR
SCHEMBL21986808 0.78 SLC6A3 (0.39) SLC6A3ATRTAS1R3TAS1R1TAS1R2
SCHEMBL21986911 0.73 CYP4F2 (0.38) RXRARXRBRXRGATRHCAR3
SCHEMBL21986824 0.73 ATR (0.36) RXRARXRBRXRGATRPDE8B
SCHEMBL21986848 0.72 ALDH1A1 (0.39) ATRMAPTNPC1HPGDRAB9A
SCHEMBL31586146 0.72 PDE8B (0.40) ATRPDE8BPOLBCYP4F2CYP4A11
SCHEMBL21550760 0.72 CYP4F2 (0.39) RXRARXRBRXRGATRPDE8B
SCHEMBL21986774 0.71 CYP4F2 (0.39) RXRARXRBRXRGATRPDE8B

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 SLC6A3 721/4885RXRA 2630/4885RXRB 2755/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B SLC6A3 721/4885RXRA 2630/4885RXRB 2755/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B SLC6A3 721/4885RXRA 2630/4885RXRB 2755/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B SLC6A3 721/4885RXRA 2630/4885RXRB 2755/4885

“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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