SCHEMBL5118854

SCHEMBL5118854

CN(C(=O)[C@H](CSCC1CCCCC1)NC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
ACE P12821 1/20 0.41
CACNA1B Q00975 1/20 0.41
CHRM4 P08173 2/20 0.40
PPARD Q03181 2/20 0.40
CYP3A4 P08684 1/20 0.39
REN P00797 1/20 0.39
PTPN1 P18031 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CCR5 P51681 2/20 0.39

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
SCHEMBL5124728 0.95 BCHE (0.45) BCHEACHEPPARGPPARAACE
SCHEMBL5123671 0.85 CACNA1B (0.49) CACNA1BCHRM4REN
SCHEMBL5118857 0.84 ACHE (0.48) BCHEACHEACECACNA1BCHRM4
SCHEMBL5116872 0.83 ACHE (0.44) BCHEACHEPPARGPPARAACE
SCHEMBL5110130 0.82 CYP2C19 (0.51) BCHEACHEPPARGPPARASIGMAR1
SCHEMBL5124066 0.82 CYP2C19 (0.51) BCHEACHEPPARGPPARASIGMAR1
SCHEMBL14210101 0.82 CYP2C19 (0.51) BCHEACHEPPARGPPARASIGMAR1
SCHEMBL5117778 0.82 CYP2C19 (0.51) BCHEACHEPPARGPPARASIGMAR1
SCHEMBL5124680 0.82 HRH2 (0.49) BCHEACHEPPARGPPARAACE
SCHEMBL5118822 0.81 BCHE (0.49) BCHEACHEPPARGPPARAACE

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 165/4885PPARG 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.