SCHEMBL5113478

SCHEMBL5113478

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 8/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 6/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
TGM2 P21980 2/20 0.45
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL14591438 0.87 KMT2A (0.45) ALDH1A1KMT2AMEN1GPR119TGM2
SCHEMBL5116757 0.85 CYP3A4 (0.42) ALDH1A1KDM4ENPSR1KMT2AMEN1
SCHEMBL5117826 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ENPSR1HSD17B10KMT2A
SCHEMBL5117824 0.85 KDM4E (0.53) ALDH1A1KDM4ENPSR1HSD17B10KMT2A
SCHEMBL5113641 0.82 KMT2A (0.46) ALDH1A1KMT2AMEN1
SCHEMBL5124680 0.82 HRH2 (0.49) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5123027 0.82 NPSR1 (0.45) KDM4ENPSR1KMT2AMEN1GAA
SCHEMBL5114306 0.81 CACNA1B (0.50) ALDH1A1KDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL5124735 0.79 ALDH1A1 (0.53) ALDH1A1KDM4ENPSR1HSD17B10KMT2A
SCHEMBL5116958 0.78 KMT2A (0.49) 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 ALDH1A1 3281/4885KDM4E 3551/4885NPSR1 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.