SCHEMBL22283579

SCHEMBL22283579

O[C@H]1C[C@@H](Oc2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.41
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
SLC6A4 P31645 8/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
IDO1 P14902 1/20 0.36
HTR2A P28223 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34

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
SCHEMBL22283580 1.00 PDE2A (0.41) PDE2ASCN8ASCN10ASLC6A4HTR2C
SCHEMBL20865577 0.88 PDE2A (0.35) PDE2AGRIN1GRIN2B
SCHEMBL22283606 0.84 SLC6A4 (0.39) PDE2ASCN8ASCN10ASLC6A4HTR2C
SCHEMBL22283675 0.84 SLC6A4 (0.39) PDE2ASCN8ASCN10ASLC6A4HTR2C
SCHEMBL23105269 0.81 SLC6A4 (0.47) SCN8ASCN10ASLC6A4HTR2CHTR2B
SCHEMBL30700642 0.81 SLC6A4 (0.47) SCN8ASCN10ASLC6A4HTR2CHTR2B
SCHEMBL31471369 0.80 GRIN1 (0.48) SLC6A4GRIN1GRIN2B
SCHEMBL28400681 0.80 SLC6A4 (0.36) PDE2ASCN8ASCN10ASLC6A4HTR2C
SCHEMBL27149063 0.77 GRIN2B (0.45) SCN8ASCN10AGRIN1GRIN2B
SCHEMBL31071547 0.77 HTR2C (0.49) SLC6A4HTR2CHTR2BSLC6A2SLC6A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689879-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2025-02-12 EP disclosed
CN-111148746-B Heterocyclic compounds 武田药品工业株式会社 2022-08-05 CN disclosed
US-11274101-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-15 US disclosed
US-11242348-B2 2022-02-08 US disclosed
US-20200255439-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-08-13 US disclosed
EP-3689879-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-08-05 EP disclosed
CN-111148746-A Heterocyclic compounds 武田药品工业株式会社 2020-05-12 CN 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 (3 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-20200255439-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE PDE2A 2413/4885SCN8A 934/4885SCN10A 626/4885
US-11274101-B2 Heterocyclic compound MAG, HTT, ACHE PDE2A 2413/4885SCN8A 934/4885SCN10A 626/4885
US-11242348-B2 MAG, ACHE, GAP43 PDE2A 1790/4885SCN8A 869/4885SCN10A 384/4885

“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.