SCHEMBL5114267

SCHEMBL5114267

CC(C)(C)OC(=O)c1ccccc1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
SLC6A12 P48065 2/20 0.42
TSHR P16473 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
DRD4 P21917 1/20 0.41
MAOB P27338 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
SCHEMBL5140324 0.93 CYP2C19 (0.44) CYP2C19SMN1; SMN2KDM4EHSD17B10POLB
SCHEMBL5118818 0.91 MEN1 (0.49) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5124066 0.89 CYP2C19 (0.51) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5117778 0.89 CYP2C19 (0.51) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14210101 0.89 CYP2C19 (0.51) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5110130 0.89 CYP2C19 (0.51) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5110339 0.89 KMT2A (0.45) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5118681 0.88 CYP2C19 (0.49) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21023257 0.85 CYP2C19 (0.47) CYP2C19SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5116990 0.84 CCR3 (0.51) CYP2C19SMN1; SMN2POLBMEN1KMT2A

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-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-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 CYP2C19 3106/4885SMN1; SMN2 172/4885KDM4E 3551/4885

“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.