SCHEMBL5124773

SCHEMBL5124773

CC(C)(C)OC(=O)N[C@@H](CSCC1CCCCC1)C(=O)N(N)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.48
PPARA Q07869 4/20 0.48
CACNA1B Q00975 2/20 0.47
PPARD Q03181 2/20 0.45
METAP2 P50579 1/20 0.43
CYP3A4 P08684 1/20 0.42
CTSS P25774 4/20 0.42
CTSK P43235 3/20 0.42
REN P00797 5/20 0.42
ACE P12821 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
KMT2A Q03164 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
SCHEMBL5123631 0.82 CACNA1B (0.54) CACNA1BMETAP2REN
SCHEMBL5116958 0.80 KMT2A (0.49) PPARGPPARACACNA1BPPARDCYP3A4
SCHEMBL5124728 0.80 BCHE (0.45) PPARGPPARACACNA1BPPARDCYP3A4
SCHEMBL5124776 0.80 CACNA1B (0.47) PPARGPPARACACNA1BCTSSCTSK
SCHEMBL5356376 0.80 CACNA1B (0.73) PPARGPPARACACNA1BPPARDMETAP2
SCHEMBL5118854 0.79 BCHE (0.44) PPARGPPARACACNA1BPPARDCYP3A4
SCHEMBL4845165 0.78 CTSS (0.54) PPARGPPARACACNA1BPPARDMETAP2
SCHEMBL6477556 0.78 CTSS (0.54) PPARGPPARACACNA1BPPARDMETAP2
SCHEMBL6476886 0.78 CTSS (0.54) PPARGPPARACACNA1BPPARDMETAP2
SCHEMBL5123387 0.78 CTSS (0.47) PPARGPPARACACNA1BPPARDCYP3A4

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
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-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
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 PPARG 2951/4885PPARA 3009/4885CACNA1B 3/4885

“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.