SCHEMBL5116872

SCHEMBL5116872

CC(=O)OCCN(C(=O)[C@H](CSCC1CCCCC1)NC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
ACE P12821 1/20 0.39
OPRM1 P35372 2/20 0.38
CCR5 P51681 1/20 0.37
CACNA1B Q00975 1/20 0.37
MCHR1 Q99705 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP3A4 P08684 1/20 0.37
PPARD Q03181 2/20 0.37
CTSL P07711 1/20 0.36

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
SCHEMBL5114526 0.86 CACNA1B (0.48) ACHEBCHEOPRM1CCR5CACNA1B
SCHEMBL5124728 0.86 BCHE (0.45) ACHEBCHEPPARGPPARAACE
SCHEMBL5116878 0.84 ACHE (0.49) ACHEBCHEACEOPRM1CCR5
SCHEMBL5118854 0.83 BCHE (0.44) ACHEBCHEPPARGPPARAACE
SCHEMBL5124066 0.80 CYP2C19 (0.51) ACHEBCHEPPARGPPARA
SCHEMBL5117778 0.80 CYP2C19 (0.51) ACHEBCHEPPARGPPARA
SCHEMBL14210101 0.80 CYP2C19 (0.51) ACHEBCHEPPARGPPARA
SCHEMBL5110130 0.80 CYP2C19 (0.51) ACHEBCHEPPARGPPARA
SCHEMBL5124680 0.80 HRH2 (0.49) ACHEBCHEPPARGPPARAACE
SCHEMBL5118822 0.79 BCHE (0.49) ACHEBCHEPPARGPPARAACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US claimed
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 ACHE 165/4885BCHE 886/4885PPARG 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.