SCHEMBL5117778

SCHEMBL5117778

CC(C)(C)OC(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 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
SCHEMBL5110130 1.00 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL14210101 1.00 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5124066 1.00 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5118681 0.99 CYP2C19 (0.49) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5116827 0.92 PPARG (0.44) CYP2C19SMN1; SMN2PPARGPPARAHDAC4
SCHEMBL21023257 0.92 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1BCHEACHE
SCHEMBL5118768 0.92 SIGMAR1 (0.43) CYP2C19SMN1; SMN2SIGMAR1HDAC4HDAC1
SCHEMBL5123702 0.91 CACNA1B (0.51) ALDH1A1PPARGPPARASIGMAR1HDAC4
SCHEMBL5118822 0.89 BCHE (0.49) BCHEACHEKMT2APPARGPPARA
SCHEMBL5114267 0.89 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1DPP7TSHR

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 11 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-20040030155-A1 Process for preparing active esters ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 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
EP-1350790-A1 PROCESS FOR PREPARING ACTIVE ESTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-08 EP 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 (2 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-20040030155-A1 Process for preparing active esters CES1, CYP3A4, CYP3A5 CYP2C19 14/4885SMN1; SMN2 3902/4885ALDH1A1 104/4885
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.