SCHEMBL5118829

SCHEMBL5118829

CC(C)(C)OC(=O)c1ccc(C(=O)N[C@H](CCC2CCCCC2)C(=S)NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNH2 Q12809 1/20 0.49
ACHE P22303 4/20 0.47
BCHE P06276 3/20 0.47
CHRM4 P08173 1/20 0.47
ATM Q13315 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
TSHR P16473 2/20 0.46
SLC6A12 P48065 1/20 0.46
MCHR1 Q99705 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD4 P21917 2/20 0.46

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
SCHEMBL5110349 0.93 KMT2A (0.47) MEN1KMT2AACHEBCHETMEM97
SCHEMBL5116279 0.90 POLB (0.46) MEN1KMT2AKCNH2SIGMAR1TSHR
SCHEMBL5113701 0.88 BCHE (0.51) MEN1KMT2AKCNH2ACHEBCHE
SCHEMBL5116779 0.88 BCHE (0.51) MEN1KMT2AKCNH2ACHEBCHE
SCHEMBL5110138 0.88 BCHE (0.51) MEN1KMT2AKCNH2ACHEBCHE
SCHEMBL5116776 0.88 BCHE (0.51) MEN1KMT2AKCNH2ACHEBCHE
SCHEMBL5124789 0.88 CHRM4 (0.52) MEN1KMT2AKCNH2ACHEBCHE
SCHEMBL5140325 0.88 TSHR (0.43) MEN1KMT2AKCNH2ACHEBCHE
SCHEMBL5118683 0.87 BCHE (0.52) MEN1KMT2AKCNH2ACHEBCHE
SCHEMBL5118818 0.83 MEN1 (0.49) MEN1KMT2AKCNH2CHRM4TMEM97

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 7 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-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 1244/4885KCNH2 73/4885

“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.