SCHEMBL5113394

SCHEMBL5113394

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.58
ATM Q13315 3/20 0.41
BCHE P06276 3/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
FAAH O00519 2/20 0.39
ACHE P22303 2/20 0.39
MEN1 O00255 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.38

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
SCHEMBL5118001 0.93 CACNA1B (0.56) CACNA1BATMBCHEKMT2AMAOA
SCHEMBL5123440 0.91 CACNA1B (0.55) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL5124751 0.91 CACNA1B (0.55) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL4564774 0.91 CACNA1B (0.55) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL5123424 0.91 CACNA1B (0.55) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL5124105 0.91 CACNA1B (0.55) CACNA1BATMKMT2AHSD17B10MEN1
Bromide SCHEMBL5123866 0.90 CACNA1B (0.54) CACNA1BATMKMT2AHSD17B10MEN1
Hydrochloric Acid SCHEMBL5117572 0.90 CACNA1B (0.54) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL5117043 0.90 CACNA1B (0.54) CACNA1BATMKMT2AHSD17B10MEN1
Hydrochloric Acid SCHEMBL5125640 0.90 CACNA1B (0.53) CACNA1BATMKMT2AHSD17B10MEN1

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 3/4885ATM 2618/4885BCHE 886/4885

“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.