SCHEMBL5117824

SCHEMBL5117824

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CACNA1B Q00975 1/20 0.48
HSD17B10 Q99714 6/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
GPR119 Q8TDV5 1/20 0.42
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL5344710 0.89 CACNA1B (0.52) KDM4EALDH1A1NPSR1CACNA1BHSD17B10
SCHEMBL5117950 0.88 CACNA1B (0.46) KDM4EALDH1A1NPSR1CACNA1BHSD17B10
SCHEMBL5113167 0.85 CACNA1B (0.53) ALDH1A1CACNA1BHSD17B10MEN1KMT2A
SCHEMBL5124712 0.85 CACNA1B (0.51) ALDH1A1NPSR1CACNA1BHSD17B10MEN1
SCHEMBL5117630 0.85 CACNA1B (0.51) KDM4EALDH1A1CACNA1BHSD17B10MEN1
SCHEMBL7039188 0.85 CACNA1B (0.48) KDM4EALDH1A1NPSR1CACNA1BHSD17B10
SCHEMBL5112728 0.85 CACNA1B (0.49) ALDH1A1CACNA1BHSD17B10MEN1KMT2A
SCHEMBL5113478 0.85 ALDH1A1 (0.54) KDM4EALDH1A1NPSR1HSD17B10MEN1
SCHEMBL5117826 0.84 ALDH1A1 (0.54) KDM4EALDH1A1NPSR1HSD17B10MEN1
SCHEMBL7043951 0.83 CACNA1B (0.56) KDM4EALDH1A1CACNA1BHSD17B10MEN1

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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
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 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 KDM4E 3551/4885ALDH1A1 3281/4885NPSR1 218/4885

“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.