SCHEMBL5118681

SCHEMBL5118681

CC(C)(C)OC(=O)N[C@@H](CSCC1CCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ACE P12821 1/20 0.44
DPP7 Q9UHL4 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
SCHEMBL14210101 0.99 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5110130 0.99 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5124066 0.99 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5117778 0.99 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5116827 0.92 PPARG (0.44) CYP2C19SMN1; SMN2PPARGPPARACHRM2
SCHEMBL21023257 0.91 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5118768 0.91 SIGMAR1 (0.43) CYP2C19SMN1; SMN2SIGMAR1
SCHEMBL5123702 0.90 CACNA1B (0.51) ALDH1A1PPARGPPARASIGMAR1
SCHEMBL5118822 0.88 BCHE (0.49) BCHEACHEKMT2APPARGPPARA
SCHEMBL5114267 0.88 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1TSHRKMT2A

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-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 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 CYP2C19 3106/4885SMN1; SMN2 172/4885ALDH1A1 3281/4885

“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.