SCHEMBL5118818

SCHEMBL5118818

CC(C)(C)OC(=O)c1ccc(C(=O)N[C@@H](CSCC2CCCCC2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MCHR1 Q99705 3/20 0.44
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
SLC6A12 P48065 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 1/20 0.43
CHRM4 P08173 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL5110339 0.93 KMT2A (0.45) MEN1KMT2ACYP2C19SMN1; SMN2MCHR1
SCHEMBL5114267 0.91 CYP2C19 (0.47) MEN1KMT2ACYP2C19SMN1; SMN2SIGMAR1
SCHEMBL5110130 0.89 CYP2C19 (0.51) MEN1KMT2ACYP2C19SMN1; SMN2SIGMAR1
SCHEMBL5117778 0.89 CYP2C19 (0.51) MEN1KMT2ACYP2C19SMN1; SMN2SIGMAR1
SCHEMBL5124066 0.89 CYP2C19 (0.51) MEN1KMT2ACYP2C19SMN1; SMN2SIGMAR1
SCHEMBL14210101 0.89 CYP2C19 (0.51) MEN1KMT2ACYP2C19SMN1; SMN2SIGMAR1
SCHEMBL5140324 0.88 CYP2C19 (0.44) MEN1KMT2ACYP2C19SMN1; SMN2SIGMAR1
SCHEMBL5118681 0.88 CYP2C19 (0.49) MEN1KMT2ACYP2C19SMN1; SMN2SIGMAR1
SCHEMBL5124782 0.87 SLC2A1 (0.48) MEN1KMT2ACYP2C19SMN1; SMN2MCHR1
SCHEMBL21023257 0.85 CYP2C19 (0.47) MEN1KMT2ACYP2C19SMN1; SMN2SIGMAR1

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 MEN1 337/4885KMT2A 1244/4885CYP2C19 3106/4885

“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.