SCHEMBL5118083

SCHEMBL5118083

COc1ccc(CN2CCC(CNC(=O)[C@H](CSCC3CCCCC3)NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.51
ACHE P22303 4/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
FAAH O00519 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
BCHE P06276 3/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB10 P40306 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
SCHEMBL5118169 0.91 CTSS (0.44) CACNA1BACHEBCHEMAOAMAOB
SCHEMBL5118822 0.91 BCHE (0.49) ACHEPPARGPPARAFAAHBCHE
SCHEMBL5123702 0.90 CACNA1B (0.51) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5348792 0.86 CACNA1B (0.57) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5361976 0.86 CACNA1B (0.57) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5118001 0.85 CACNA1B (0.56) CACNA1BACHEFAAHALDH1A1LMNA
SCHEMBL5362306 0.85 CACNA1B (0.56) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5350228 0.85 CACNA1B (0.56) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5118086 0.83 CACNA1B (0.49) CACNA1BACHEFAAHALDH1A1LMNA
SCHEMBL7040723 0.82 CACNA1B (0.44) CACNA1BACHEFAAHALDH1A1BCHE

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 CACNA1B 3/4885ACHE 165/4885PPARG 2951/4885

“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.