SCHEMBL17504055

SCHEMBL17504055

Cc1ncc(C[S+]([O-])C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 7/20 0.51
▸ ALDH1A1 P00352 4/20 0.39
▸ RECQL P46063 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL17504068 0.84 SLC6A3 (0.50) SLC6A3ALDH1A1RECQLLMNAPOLB
SCHEMBL21462387 0.82 SLC6A3 (0.37) SLC6A3ALDH1A1LMNAKMT2A
SCHEMBL18985021 0.79 SLC6A3 (0.34) SLC6A3ALDH1A1LMNA
SCHEMBL17504087 0.75 SLC6A3 (0.52) SLC6A3ALDH1A1RECQLLMNA
SCHEMBL21456832 0.73 SLC6A3 (0.50) SLC6A3
SCHEMBL21456809 0.73 SLC6A3 (0.50) SLC6A3
SCHEMBL17504063 0.73 SLC6A3 (0.50) SLC6A3
SCHEMBL17504094 0.72 SLC6A3 (0.41) SLC6A3ALDH1A1RECQLLMNA
SCHEMBL21462740 0.71 SLC6A3 (0.40) SLC6A3
SCHEMBL17504099 0.71 SLC6A3 (0.40) SLC6A3ALDH1A1KMT2A

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-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
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 683/4885ALDH1A1 384/4885RECQL 327/4885
US-20210380545-A1 (S)-ENANTIOMERIC FORM OF A HETEROCYCLIC COMPOUND HAVING MOTIVATION IMPROVING AND/OR REFERENCE MEMORY ENHANCING ACTIVITY TFEB, TAAR1, RABGGTB SLC6A3 444/4885ALDH1A1 1001/4885RECQL 1093/4885
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity TAAR1, ACHE, RIF1 SLC6A3 683/4885ALDH1A1 384/4885RECQL 327/4885

“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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