SCHEMBL5124680

SCHEMBL5124680

CC(C)(C)OC(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
ACE P12821 1/20 0.45
PABPC1 P11940 1/20 0.43
PPARD Q03181 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CYP3A4 P08684 2/20 0.42
CTSL P07711 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5113641 0.88 KMT2A (0.46) HRH2HRH1KMT2AMAPK1PPARG
SCHEMBL14591438 0.88 KMT2A (0.45) HRH2HRH1KMT2AMAPK1PPARG
SCHEMBL5110130 0.86 CYP2C19 (0.51) KMT2ABCHEACHEPPARGPPARA
SCHEMBL5117778 0.86 CYP2C19 (0.51) KMT2ABCHEACHEPPARGPPARA
SCHEMBL5124066 0.86 CYP2C19 (0.51) KMT2ABCHEACHEPPARGPPARA
SCHEMBL14210101 0.86 CYP2C19 (0.51) KMT2ABCHEACHEPPARGPPARA
SCHEMBL5123027 0.86 NPSR1 (0.45) HRH2HRH1KMT2AMAPK1PPARG
SCHEMBL5118822 0.85 BCHE (0.49) KMT2ABCHEACHEPPARGPPARA
SCHEMBL5118681 0.85 CYP2C19 (0.49) KMT2ABCHEACHEPPARGPPARA
SCHEMBL5116958 0.85 KMT2A (0.49) HRH2HRH1KMT2AMAPK1PPARG

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-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 HRH2 1011/4885HRH1 997/4885KMT2A 1244/4885

“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.