SCHEMBL5123387

SCHEMBL5123387

CC(C)(C)OC(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCCNCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.47
CTSK P43235 4/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
REN P00797 5/20 0.46
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
AKT1 P31749 1/20 0.45
ATM Q13315 1/20 0.45
CYP3A4 P08684 1/20 0.44
BCHE P06276 1/20 0.44
CACNA1B Q00975 1/20 0.44
PPARD Q03181 2/20 0.43

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
SCHEMBL4846817 0.85 CACNA1B (0.59) CTSSCTSKPPARGPPARAREN
SCHEMBL5349086 0.84 PSMB1 (0.51) PPARGPPARARENCACNA1B
SCHEMBL14210087 0.83 CACNA1B (0.47) CTSSCTSKPPARGPPARAREN
SCHEMBL5124533 0.83 CTSS (0.49) CTSSCTSKPPARGPPARAREN
SCHEMBL5110969 0.83 CACNA1B (0.63) RENATMCYP3A4BCHECACNA1B
Bromide SCHEMBL5113736 0.82 CACNA1B (0.62) RENATMCYP3A4BCHECACNA1B
Hydrochloric Acid SCHEMBL5125655 0.82 CACNA1B (0.62) RENATMCYP3A4BCHECACNA1B
SCHEMBL14513815 0.82 PPARG (0.51) CTSSCTSKPPARGPPARAREN
SCHEMBL5361976 0.82 CACNA1B (0.57) CTSSCTSKPPARGPPARAREN
SCHEMBL5348792 0.82 CACNA1B (0.57) CTSSCTSKPPARGPPARAREN

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 CTSS 642/4885CTSK 1082/4885PPARG 2951/4885

“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.