SCHEMBL5655033

SCHEMBL5655033

O=C=NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.57
▸ BACE1 P56817 11/20 0.57
▸ CCR3 P51677 1/20 0.54
▸ SIGMAR1 Q99720 2/20 0.53
▸ BCHE P06276 6/20 0.52
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL4987941 0.84 ACHE (0.57) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL41919 0.81 ACHE (0.62) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL5091801 0.81 ACHE (0.62) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL2163466 0.80 PKM (0.44) SIGMAR1BCHE
SCHEMBL1593175 0.78 ACHE (0.61) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL3366239 0.78 ACHE (0.67) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL4257757 0.77 ACHE (0.69) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL4935312 0.75 BCHE (0.59) ACHEBACE1CCR3BCHE
SCHEMBL8315434 0.75 ACHE (0.71) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL7451036 0.74 ACHE (0.62) ACHEBACE1CCR3SIGMAR1BCHE

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-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 — — EP disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 — — EP disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 — — EP disclosed
US-9321796-B2 Galactopyranosyl derivatives useful as medicaments UNIVERSITEIT GENT (BE) 2016-04-26 — — US disclosed
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS AMBICION CO., LTD. (JP) 2015-07-30 — — US disclosed
EP-2877480-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit van Gent (BE) 2015-06-03 — — EP disclosed
WO-2014001204-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIVERSITEIT GENT (BE) 2014-01-03 — — WO disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — 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 (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-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ACHE 2639/4885BACE1 165/4885CCR3 2570/4885
US-20150210728-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS B3GAT3, GALR3, ST6GAL1 ACHE 419/4885BACE1 4115/4885CCR3 401/4885

“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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