SCHEMBL18502986

SCHEMBL18502986

Cc1cnc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3O[C@@H](C)C(F)(F)F)CC2)c(F)c1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 20/20 0.83
KCNH2 Q12809 9/20 0.83
SLC6A5 Q9Y345 2/20 0.76

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
Bitopertin SCHEMBL29363611 0.91 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
Bitopertin SCHEMBL29985866 0.91 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
Bitopertin SCHEMBL3772885 0.91 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
Bitopertin SCHEMBL562490 0.91 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
Bitopertin SCHEMBL561853 0.91 SLC6A9 (1.00) SLC6A9KCNH2SLC6A5
SCHEMBL5042013 0.86 SLC6A9 (0.82) SLC6A9KCNH2SLC6A5
SCHEMBL12172477 0.84 SLC6A9 (0.88) SLC6A9KCNH2SLC6A5
SCHEMBL5038316 0.84 SLC6A9 (0.70) SLC6A9KCNH2SLC6A5
SCHEMBL4424343 0.84 SLC6A9 (0.87) SLC6A9KCNH2SLC6A5
SCHEMBL23815759 0.84 SLC6A9 (0.71) SLC6A9KCNH2SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9877963-B2 GlyT1 inhibitors for use in the treatment of hematological disorders HOFFMANN-LA ROCHE INC. (US) 2018-01-30 US disclosed
US-20170042888-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 2017-02-16 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-20170042888-A1 GLYT1 INHIBITORS FOR USE IN THE TREATMENT OF HEMATOLOGICAL DISORDERS SLC40A1, GFPT1, HBG1 SLC6A9 121/4885KCNH2 3010/4885SLC6A5 142/4885

“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.