SCHEMBL5116958

SCHEMBL5116958

CN(Cc1ccccc1)C1CCN(C(=O)[C@H](CSCC2CCCCC2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
CACNA1B Q00975 4/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
PABPC1 P11940 1/20 0.43
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
ACE P12821 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PPARD Q03181 2/20 0.41
CYP3A4 P08684 1/20 0.40
REN P00797 1/20 0.40
CALCRL Q16602 1/20 0.40

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
SCHEMBL14210088 0.88 KMT2A (0.46) KMT2AMAPK1CACNA1BPPARGPPARA
SCHEMBL5124678 0.85 CACNA1B (0.51) KMT2AMAPK1JAK2JAK1CACNA1B
SCHEMBL5124680 0.85 HRH2 (0.49) KMT2AMAPK1PPARGPPARAPABPC1
SCHEMBL5113641 0.83 KMT2A (0.46) KMT2AMAPK1CACNA1BPPARGPPARA
SCHEMBL14591438 0.83 KMT2A (0.45) KMT2AMAPK1CACNA1BPPARGPPARA
SCHEMBL5123027 0.81 NPSR1 (0.45) KMT2AMAPK1PPARGPPARAHRH2
SCHEMBL5124728 0.80 BCHE (0.45) CACNA1BPPARGPPARAACEPPARD
SCHEMBL5124773 0.80 PPARG (0.48) KMT2ACACNA1BPPARGPPARAACE
SCHEMBL5118854 0.79 BCHE (0.44) CACNA1BPPARGPPARAACEPPARD
SCHEMBL5113478 0.78 ALDH1A1 (0.54) KMT2A

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 KMT2A 1244/4885MAPK1 1052/4885JAK2 591/4885

“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.