SCHEMBL17455999

SCHEMBL17455999

O=S(=O)(c1ccc(F)cc1F)N1CCC(Oc2nccnc2-c2ccncc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ MTOR P42345 3/20 0.37
▸ PKM P14618 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ COMT P21964 1/20 0.36

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
SCHEMBL17455969 0.86 HTR2B (0.43) PDE10ACYP19A1MAPT
SCHEMBL17455962 0.79 PDE10A (0.45) PDE10APIK3CACYP19A1
SCHEMBL17456001 0.78 PIK3CD (0.46) PDE10APIK3CA
SCHEMBL17456039 0.76 MAPT (0.55) PIK3CAPKMPKLRALDH1A1MAPT
SCHEMBL17456027 0.75 CHRM1 (0.46) PDE10APIK3CA
SCHEMBL17456044 0.74 MCHR1 (0.44) HTR2CCYP19A1MAPT
SCHEMBL21238828 0.71 PDE10A (0.50) PDE10APIK3CA
SCHEMBL17455935 0.71 PIK3CD (0.42) CYP19A1MAPT
SCHEMBL17455979 0.69 MCHR1 (0.43) HTR2CPKMALDH1A1
SCHEMBL17455919 0.69 IKBKB (0.42) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US 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 (1 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 SCN3A 251/4885TRPV4 2693/4885PDE10A 1444/4885

“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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