SCHEMBL17504072

SCHEMBL17504072

c1ccc(C(SCc2nccs2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 6/20 0.51
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ CTSA P10619 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SCN1A P35498 1/20 0.34
▸ SCN1B Q07699 1/20 0.34

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
SCHEMBL29480839 0.88 SLC6A3 (0.42) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31570743 0.75 SLC6A3 (0.57) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17504095 0.74 SLC6A3 (0.60) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8722436 0.71 GRIN2D (0.53) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30380236 0.71 SLC6A3 (0.53) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8034456 0.71 GRIN2D (0.53) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11445384 0.69 FDPS (0.42) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28804693 0.69 SLC6A3 (0.50) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10425543 0.68 FDPS (0.37) SLC6A3CYP2C19TSHRALDH1A1FDPS
SCHEMBL17504062 0.68 SLC6A3 (0.49) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2985279-B1 Heterocyclic compounds with working memory enhancing activity RED BULL GMBH (AT) 2017-08-02 — — EP 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
EP-2985279-A1 Heterocyclic compounds with working memory enhancing activity Red Bull GmbH (AT) 2016-02-17 — — EP claimed
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity RED BULL GMBH (AT) 2019-03-05 — — US disclosed
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity RED BULL GMBH (AT) 2019-03-05 — — US disclosed
EP-2985279-B1 Heterocyclic compounds with working memory enhancing activity RED BULL GMBH (AT) 2017-08-02 — — EP 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
EP-2985279-A1 Heterocyclic compounds with working memory enhancing activity Red Bull GmbH (AT) 2016-02-17 — — EP 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 (2 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 683/4885CYP1A2 514/4885CYP3A4 1357/4885
US-10221147-B2 Heterocyclic compounds with working memory enhancing activity TAAR1, ACHE, RIF1 SLC6A3 683/4885CYP1A2 514/4885CYP3A4 1357/4885

“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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