SCHEMBL5124000

SCHEMBL5124000

CC(C)(C)OC(=O)N[C@@H](C(=S)NC1CCN(Cc2ccccc2)CC1)C(C)(C)CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DPP7 Q9UHL4 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5110138 0.86 BCHE (0.51) CYP2C19SMN1; SMN2DPP7GAAKMT2A
SCHEMBL5113701 0.86 BCHE (0.51) CYP2C19SMN1; SMN2DPP7GAAKMT2A
SCHEMBL5116779 0.86 BCHE (0.51) CYP2C19SMN1; SMN2DPP7GAAKMT2A
SCHEMBL5116776 0.86 BCHE (0.51) CYP2C19SMN1; SMN2DPP7GAAKMT2A
SCHEMBL7206710 0.85 CHRM2 (0.48) CYP2C19SMN1; SMN2DPP7GAAKMT2A
SCHEMBL5118683 0.85 BCHE (0.52) CYP2C19SMN1; SMN2DPP7KMT2AMEN1
SCHEMBL5118865 0.84 CYP2C19 (0.43) CYP2C19SMN1; SMN2DPP7GAAKMT2A
SCHEMBL7206045 0.82 CYP2C19 (0.46) CYP2C19SMN1; SMN2DPP7GAAKMT2A
Hydrochloric Acid SCHEMBL5144757 0.81 CYP2C19 (0.45) CYP2C19SMN1; SMN2DPP7GAAKMT2A
SCHEMBL5123997 0.80 CYP2C19 (0.51) CYP2C19SMN1; SMN2DPP7KMT2AMEN1

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-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US claimed
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
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 CYP2C19 3106/4885SMN1; SMN2 172/4885DPP7 1174/4885

“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.