SCHEMBL5113474

SCHEMBL5113474

COc1ccc(C(=O)N2CCC(NC(=O)[C@H](CSCC3CCCCC3)NC(=O)[C@@H]3CSCN3C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.50
EPHX2 P34913 1/20 0.45
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL5117829 0.93 CACNA1B (0.47) CACNA1BEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5117857 0.89 CACNA1B (0.53) CACNA1BKMT2AMEN1ATMHSD17B10
SCHEMBL5113479 0.85 EPHX2 (0.46) CACNA1BEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5353338 0.85 CACNA1B (0.49) CACNA1BKMT2AMEN1L3MBTL1GAA
SCHEMBL5114334 0.85 EPHX2 (0.49) CACNA1BEPHX2KMT2AMEN1ALDH1A1
SCHEMBL5364041 0.84 CACNA1B (0.54) CACNA1BALDH1A1L3MBTL1GAAATM
SCHEMBL5345727 0.84 CACNA1B (0.69) CACNA1BKMT2AMEN1ALDH1A1RAB9A
SCHEMBL5345740 0.84 CACNA1B (0.69) CACNA1BKMT2AMEN1ALDH1A1RAB9A
SCHEMBL5349399 0.84 CACNA1B (0.69) CACNA1BKMT2AMEN1ALDH1A1RAB9A
SCHEMBL5116987 0.84 CACNA1B (0.54) CACNA1BEPHX2KMT2AMEN1ALDH1A1

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 CACNA1B 3/4885EPHX2 2908/4885KMT2A 1244/4885

“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.