SCHEMBL17504099

SCHEMBL17504099

Cc1nc(Cl)sc1C[S+]([O-])C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.40
▸ COMT P21964 4/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HRH2 P25021 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL17504087 0.87 SLC6A3 (0.52) SLC6A3COMTPDE10AALDH1A1HPGD
SCHEMBL21462406 0.83 SLC6A3 (0.40) SLC6A3GAA
SCHEMBL21462409 0.83 SLC6A3 (0.33) SLC6A3KMT2A
SCHEMBL17504094 0.82 SLC6A3 (0.41) SLC6A3COMTPDE10AALDH1A1HPGD
SCHEMBL17504073 0.74 SLC6A3 (0.51) SLC6A3KMT2AALDH1A1TSHR
SCHEMBL17504068 0.72 SLC6A3 (0.50) SLC6A3KMT2AALDH1A1
SCHEMBL21462390 0.72 SLC6A3 (0.37) SLC6A3
SCHEMBL18984985 0.71 SLC6A3 (0.36) SLC6A3
SCHEMBL21462740 0.69 SLC6A3 (0.40) SLC6A3COMT
SCHEMBL17504058 0.69 POLB (0.39) SLC6A3KMT2APDE10AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553053-A1 (S)-ENANTIOMERIC FORM OF A HETEROCYCLIC COMPOUND HAVING MOTIVATION IMPROVING AND/OR REFERENCE MEMORY ENHANCING ACTIVITY Red Bull GmbH (AT) 2019-10-16 — — EP claimed
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity RED BULL GMBH (AT) 2019-03-05 — — US claimed
US-20170174642-A1 HETEROCYCLIC COMPOUNDS WITH WORKING MEMORY ENHANCING ACTIVITY COGMOTIV FLEXCO (AT) 2017-06-22 — — US claimed
US-20210380545-A1 (S)-ENANTIOMERIC FORM OF A HETEROCYCLIC COMPOUND HAVING MOTIVATION IMPROVING AND/OR REFERENCE MEMORY ENHANCING ACTIVITY RED BULL GMBH (AT) 2021-12-09 — — US disclosed
EP-3553053-A1 (S)-ENANTIOMERIC FORM OF A HETEROCYCLIC COMPOUND HAVING MOTIVATION IMPROVING AND/OR REFERENCE MEMORY ENHANCING ACTIVITY Red Bull GmbH (AT) 2019-10-16 — — EP disclosed
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity RED BULL GMBH (AT) 2019-03-05 — — US disclosed
US-20170174642-A1 HETEROCYCLIC COMPOUNDS WITH WORKING MEMORY ENHANCING ACTIVITY COGMOTIV FLEXCO (AT) 2017-06-22 — — US disclosed
WO-2016023997-A1 HETEROCYCLIC COMPOUNDS WITH WORKING MEMORY ENHANCING ACTIVITY RED BULL GMBH (AT) 2016-02-18 — — WO 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-20170174642-A1 HETEROCYCLIC COMPOUNDS WITH WORKING MEMORY ENHANCING ACTIVITY TAAR1, ACHE, RIF1 SLC6A3 683/4885COMT 243/4885KMT2A 375/4885
US-20210380545-A1 (S)-ENANTIOMERIC FORM OF A HETEROCYCLIC COMPOUND HAVING MOTIVATION IMPROVING AND/OR REFERENCE MEMORY ENHANCING ACTIVITY TFEB, TAAR1, RABGGTB SLC6A3 444/4885COMT 16/4885KMT2A 591/4885
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity TAAR1, ACHE, RIF1 SLC6A3 683/4885COMT 243/4885KMT2A 375/4885

“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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