SCHEMBL5124716

SCHEMBL5124716

CC(C)(C)OC(=O)N1[CH]CSC1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 4/20 0.37
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
CACNA1G O43497 1/20 0.36
PKM P14618 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CACNA1B Q00975 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
METAP2 P50579 1/20 0.34
GLS O94925 1/20 0.34

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
SCHEMBL5344716 0.90 ALDH1A1 (0.41) MAPK1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL5117632 0.89 CACNA1B (0.40) MAPK1NPSR1HTTKMT2AMEN1
SCHEMBL5113170 0.89 MAPK1 (0.40) MAPK1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL7202408 0.89 MAPK1 (0.40) MAPK1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL7043953 0.86 MAPK1 (0.41) MAPK1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL5117826 0.86 ALDH1A1 (0.54) NPSR1KMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5123628 0.85 MAPK1 (0.41) MAPK1NPSR1KMT2AMEN1ALDH1A1
SCHEMBL5117954 0.84 ALDH1A1 (0.39) MAPK1NPSR1HTTKMT2AMEN1
SCHEMBL5123027 0.84 NPSR1 (0.45) MAPK1NPSR1CNR1CNR2HTT
SCHEMBL5112731 0.84 MAPT (0.43) NPSR1HTTKMT2AMEN1ALDH1A1

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-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-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 MAPK1 1052/4885NPSR1 218/4885CNR1 1075/4885

“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.