SCHEMBL5117548

SCHEMBL5117548

COc1ccc(C(=O)N2CCC(NC(=O)[C@H](CSCC3CCCCC3)NC(=O)[C@@H]3CSCN3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.41
CACNA1B Q00975 3/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 2/20 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
SCHEMBL5117010 0.90 EPHX2 (0.45) EPHX2KMT2AMEN1ALDH1A1POLB
SCHEMBL7039411 0.88 CACNA1B (0.44) GAACACNA1BALDH1A1CHRM2
Hydrochloric Acid SCHEMBL5144786 0.88 CACNA1B (0.43) GAACACNA1BALDH1A1CHRM2
SCHEMBL5117553 0.83 EPHX2 (0.48) EPHX2KMT2AGAAMEN1ALDH1A1
SCHEMBL5351757 0.82 CACNA1B (0.35) GAACACNA1B
SCHEMBL5114334 0.82 EPHX2 (0.49) EPHX2KMT2AGAACACNA1BMEN1
SCHEMBL4845524 0.81 CACNA1B (0.54) KMT2AGAACACNA1BMEN1ALDH1A1
SCHEMBL5344806 0.81 CACNA1B (0.54) KMT2AGAACACNA1BMEN1ALDH1A1
SCHEMBL5113474 0.81 CACNA1B (0.50) EPHX2KMT2AGAACACNA1BMEN1
Hydrochloric Acid SCHEMBL5343343 0.81 CACNA1B (0.53) KMT2AGAACACNA1BMEN1ALDH1A1

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 EPHX2 2908/4885KMT2A 1244/4885GAA 1623/4885

“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.