SCHEMBL5117632

SCHEMBL5117632

CC(C)(C)OC(=O)N1[CH]CSC1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCC(Nc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CCKBR P32239 1/20 0.36
CHRM3 P20309 1/20 0.35
PABPC1 P11940 1/20 0.35
METAP2 P50579 1/20 0.34
LIMK2 P53671 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL7043953 0.90 MAPK1 (0.41) CACNA1BALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL5113170 0.90 MAPK1 (0.40) CACNA1BALDH1A1MAPK1KDM4EPKM
SCHEMBL7202408 0.90 MAPK1 (0.40) CACNA1BALDH1A1MAPK1KDM4EPKM
SCHEMBL5344716 0.90 ALDH1A1 (0.41) CACNA1BALDH1A1MAPK1MAPTKDM4E
Hydrochloric Acid SCHEMBL5123628 0.90 MAPK1 (0.41) CACNA1BALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL5124716 0.89 MAPK1 (0.37) CACNA1BALDH1A1MAPK1HTTKDM4E
SCHEMBL5117826 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL5117954 0.84 ALDH1A1 (0.39) CACNA1BALDH1A1MAPK1MAPTHTT
SCHEMBL5113641 0.84 KMT2A (0.46) CACNA1BALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL5112731 0.84 MAPT (0.43) CACNA1BALDH1A1L3MBTL1MAPTHTT

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 CACNA1B 3/4885ALDH1A1 3281/4885MAPK1 1052/4885

“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.