SCHEMBL17504087

SCHEMBL17504087

Cc1nc(C)c(C[S+]([O-])C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.52
▸ GAA P10253 2/20 0.41
▸ COMT P21964 7/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 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
SCHEMBL21462406 0.87 SLC6A3 (0.40) SLC6A3GAA
SCHEMBL17504099 0.87 SLC6A3 (0.40) SLC6A3GAACOMTALDH1A1HPGD
SCHEMBL17504094 0.85 SLC6A3 (0.41) SLC6A3GAACOMTALDH1A1LMNA
SCHEMBL21462740 0.78 SLC6A3 (0.40) SLC6A3COMT
SCHEMBL17504073 0.78 SLC6A3 (0.51) SLC6A3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL21462390 0.75 SLC6A3 (0.37) SLC6A3
SCHEMBL17504055 0.75 SLC6A3 (0.51) SLC6A3ALDH1A1LMNARECQL
SCHEMBL17504082 0.75 SLC6A3 (0.54) SLC6A3GAAALDH1A1LMNAHTT
SCHEMBL21462409 0.72 SLC6A3 (0.33) SLC6A3LMNA
SCHEMBL17504058 0.72 POLB (0.39) SLC6A3GAAALDH1A1LMNASMN1; SMN2

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
WO-2016023997-A1 HETEROCYCLIC COMPOUNDS WITH WORKING MEMORY ENHANCING ACTIVITY RED BULL GMBH (AT) 2016-02-18 — — WO 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

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 683/4885GAA 224/4885COMT 243/4885
US-20210380545-A1 (S)-ENANTIOMERIC FORM OF A HETEROCYCLIC COMPOUND HAVING MOTIVATION IMPROVING AND/OR REFERENCE MEMORY ENHANCING ACTIVITY TFEB, TAAR1, RABGGTB SLC6A3 444/4885GAA 108/4885COMT 16/4885
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity TAAR1, ACHE, RIF1 SLC6A3 683/4885GAA 224/4885COMT 243/4885

“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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