SCHEMBL5113403

SCHEMBL5113403

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CACNA1B Q00975 1/20 0.42
ACHE P22303 6/20 0.41
BCHE P06276 4/20 0.41
FAAH O00519 5/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
ACKR3 P25106 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL5118005 0.92 ACHE (0.42) ATMCACNA1BACHEBCHEFAAH
SCHEMBL5124110 0.91 CYP2C19 (0.44) ATMCACNA1BACHEBCHEHSD17B10
SCHEMBL5123449 0.91 CYP2C19 (0.44) ATMCACNA1BACHEBCHEHSD17B10
SCHEMBL5124757 0.91 CYP2C19 (0.44) ATMCACNA1BACHEBCHEHSD17B10
SCHEMBL5123437 0.91 CYP2C19 (0.44) ATMCACNA1BACHEBCHEHSD17B10
SCHEMBL4564775 0.91 CYP2C19 (0.44) ATMCACNA1BACHEBCHEHSD17B10
Hydrochloric Acid SCHEMBL5117576 0.90 CYP2C19 (0.44) ATMCACNA1BACHEBCHEHSD17B10
Bromide SCHEMBL5123871 0.90 CYP2C19 (0.44) ATMCACNA1BACHEBCHEHSD17B10
SCHEMBL5117048 0.90 CYP2C19 (0.43) ATMCACNA1BACHEBCHEHSD17B10
Hydrochloric Acid SCHEMBL5125644 0.89 CYP2C19 (0.43) ATMCACNA1BACHEBCHEHSD17B10

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 ATM 2618/4885CACNA1B 3/4885ACHE 165/4885

“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.