SCHEMBL5118822

SCHEMBL5118822

CC(C)(C)OC(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.49
ACHE P22303 4/20 0.49
ATM Q13315 2/20 0.46
KMT2A Q03164 2/20 0.46
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
MEN1 O00255 1/20 0.45
ACE P12821 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
FAAH O00519 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL5118169 0.92 CTSS (0.44) BCHEACHEKMT2AMEN1CTSS
SCHEMBL5118083 0.91 CACNA1B (0.51) BCHEACHEKMT2AMEN1PPARG
SCHEMBL14210101 0.89 CYP2C19 (0.51) BCHEACHEKMT2AMEN1PPARG
SCHEMBL5124066 0.89 CYP2C19 (0.51) BCHEACHEKMT2AMEN1PPARG
SCHEMBL5110130 0.89 CYP2C19 (0.51) BCHEACHEKMT2AMEN1PPARG
SCHEMBL5117778 0.89 CYP2C19 (0.51) BCHEACHEKMT2AMEN1PPARG
SCHEMBL5118681 0.88 CYP2C19 (0.49) BCHEACHEKMT2AMEN1ACE
SCHEMBL5124680 0.85 HRH2 (0.49) BCHEACHEKMT2AACEPPARG
SCHEMBL5113394 0.85 CACNA1B (0.58) BCHEACHEATMKMT2AMEN1
SCHEMBL5124728 0.84 BCHE (0.45) BCHEACHEACEPPARGPPARA

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 BCHE 886/4885ACHE 165/4885ATM 2618/4885

“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.