SCHEMBL5124776

SCHEMBL5124776

CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=S)N(N)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.47
CTSK P43235 5/20 0.44
CTSS P25774 4/20 0.44
REN P00797 5/20 0.43
ACE P12821 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL5123633 0.82 CACNA1B (0.43) CACNA1BRENF2PRSS1KMT2A
SCHEMBL5124773 0.80 PPARG (0.48) CACNA1BCTSKCTSSRENACE
SCHEMBL7858189 0.79 CACNA1B (0.56) CACNA1BCTSKCTSSCTSLCTSB
SCHEMBL5124733 0.79 ACHE (0.50) ACE
SCHEMBL5356382 0.79 CACNA1B (0.69) CACNA1BCTSKCTSSCTSLKMT2A
SCHEMBL5118857 0.78 ACHE (0.48) CACNA1BACEKMT2A
SCHEMBL4845166 0.78 CTSK (0.56) CACNA1BCTSKCTSSKMT2A
SCHEMBL26436582 0.77 CACNA1B (0.56) CACNA1BCTSKCTSSACECTSL
SCHEMBL5123388 0.77 CTSK (0.47) CTSKCTSSRENCTSLCTSB
SCHEMBL5348844 0.77 CACNA1B (0.52) CACNA1BCTSKCTSSPPARAPPARG

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 CACNA1B 3/4885CTSK 1082/4885CTSS 642/4885

“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.