SCHEMBL5124803

SCHEMBL5124803

CC(C)(C)OC(=O)N[C@@H](COCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CACNA1B Q00975 1/20 0.51
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
CTSS P25774 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
SIGMAR1 Q99720 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
SCHEMBL2311994 0.87 MEN1 (0.52) CYP2C19SMN1; SMN2BCHEACHEKMT2A
SCHEMBL14210101 0.85 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL5117778 0.85 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL5110130 0.85 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL5124066 0.85 CYP2C19 (0.51) CYP2C19SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL5117636 0.85 CYP2C19 (0.50) CYP2C19SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL5118681 0.84 CYP2C19 (0.49) CYP2C19SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL3957208 0.84 SCN9A (0.58) CTSSKMT2AMEN1SIGMAR1
SCHEMBL5118674 0.84 CYP2C19 (0.47) CYP2C19SMN1; SMN2CACNA1BALDH1A1L3MBTL1
SCHEMBL5111005 0.84 CYP2C19 (0.49) CYP2C19SMN1; SMN2ALDH1A1L3MBTL1DPP7

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 172/4885CACNA1B 3/4885

“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.