SCHEMBL5118857

SCHEMBL5118857

CN(C(=S)[C@@H](CCC1CCCCC1)NC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.48
BCHE P06276 5/20 0.48
ACE P12821 1/20 0.44
CHRM4 P08173 2/20 0.42
CACNA1B Q00975 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR5 P51681 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL5124733 0.96 ACHE (0.50) ACHEBCHEACECHRM4CACNA1F
SCHEMBL5123677 0.84 ATM (0.40) ACHEBCHECHRM4CACNA1B
SCHEMBL5118854 0.84 BCHE (0.44) ACHEBCHEACECHRM4CACNA1B
SCHEMBL5116878 0.83 ACHE (0.49) ACHEBCHEACECACNA1FCACNA1D
SCHEMBL5110138 0.82 BCHE (0.51) ACHEBCHEACEKMT2AL3MBTL1
SCHEMBL5116776 0.82 BCHE (0.51) ACHEBCHEACEKMT2AL3MBTL1
SCHEMBL5116779 0.82 BCHE (0.51) ACHEBCHEACEKMT2AL3MBTL1
SCHEMBL5113701 0.82 BCHE (0.51) ACHEBCHEACEKMT2AL3MBTL1
SCHEMBL5118828 0.81 ACHE (0.54) ACHEBCHEACECACNA1FCACNA1D
SCHEMBL5118683 0.81 BCHE (0.52) ACHEBCHEACEKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 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 (1 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B ACHE 165/4885BCHE 886/4885ACE 788/4885

“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.