SCHEMBL5114532

SCHEMBL5114532

CC(=O)OCCN(C(=S)[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.39
ACHE P22303 4/20 0.37
BCHE P06276 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CCR5 P51681 1/20 0.35
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OPRM1 P35372 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7037284 0.92 ATM (0.39) CACNA1BACHEBCHEATMHSD17B10
Hydrochloric Acid SCHEMBL5139081 0.92 CACNA1B (0.38) CACNA1BACHEBCHEATMHSD17B10
SCHEMBL7043905 0.88 ATM (0.40) CACNA1BACHEBCHEATMHSD17B10
Hydrochloric Acid SCHEMBL5109962 0.88 ATM (0.40) CACNA1BACHEBCHEATMHSD17B10
SCHEMBL5114526 0.87 CACNA1B (0.48) CACNA1BACHEBCHEATMHSD17B10
SCHEMBL5123677 0.86 ATM (0.40) CACNA1BACHEBCHEATMHSD17B10
SCHEMBL5116878 0.86 ACHE (0.49) ACHEBCHECCR5MCHR1HRH3
SCHEMBL5123437 0.83 CYP2C19 (0.44) CACNA1BACHEBCHEATMHSD17B10
SCHEMBL5124110 0.83 CYP2C19 (0.44) CACNA1BACHEBCHEATMHSD17B10
SCHEMBL5124757 0.83 CYP2C19 (0.44) CACNA1BACHEBCHEATMHSD17B10

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 6 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-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 165/4885BCHE 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.