SCHEMBL5116827

SCHEMBL5116827

Cc1ccc(CN2CCC(NC(=O)[C@H](CSCC3CCCCC3)NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCHR1 Q99705 3/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
CACNA1B Q00975 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
DRD4 P21917 2/20 0.40
SRC P12931 1/20 0.40
METAP2 P50579 1/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 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
SCHEMBL5118768 0.93 SIGMAR1 (0.43) HDAC4HDAC1HDAC6CYP2C19SMN1; SMN2
SCHEMBL5117778 0.92 CYP2C19 (0.51) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL5110130 0.92 CYP2C19 (0.51) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL5124066 0.92 CYP2C19 (0.51) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL14210101 0.92 CYP2C19 (0.51) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL5123702 0.92 CACNA1B (0.51) PPARGPPARAHDAC4HDAC1HDAC6
SCHEMBL5118681 0.92 CYP2C19 (0.49) PPARGPPARACHRM2CHRM1CHRM3
SCHEMBL21023257 0.85 CYP2C19 (0.47) CYP2C19SMN1; SMN2
SCHEMBL5110231 0.85 CACNA1B (0.51) CHRM2CHRM1CHRM3CYP2C19SMN1; SMN2
SCHEMBL5351866 0.83 HDAC4 (0.51) HDAC4HDAC1HDAC6CYP2C19HRH2

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 PPARG 2951/4885PPARA 3009/4885CHRM2 564/4885

“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.