SCHEMBL5113491

SCHEMBL5113491

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NC1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CACNA1B Q00975 1/20 0.38
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35

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
SCHEMBL5110234 0.94 CTSL (0.40) ATMCACNA1BCYP2C19SMN1; SMN2HSD17B10
SCHEMBL5118118 0.94 MC4R (0.40) ATMCACNA1BCYP2C19SMN1; SMN2SIGMAR1
SCHEMBL5124110 0.94 CYP2C19 (0.44) ATMCACNA1BCYP2C19SMN1; SMN2HSD17B10
SCHEMBL5124757 0.94 CYP2C19 (0.44) ATMCACNA1BCYP2C19SMN1; SMN2HSD17B10
SCHEMBL4564775 0.94 CYP2C19 (0.44) ATMCACNA1BCYP2C19SMN1; SMN2HSD17B10
SCHEMBL5123437 0.94 CYP2C19 (0.44) ATMCACNA1BCYP2C19SMN1; SMN2HSD17B10
SCHEMBL5123449 0.94 CYP2C19 (0.44) ATMCACNA1BCYP2C19SMN1; SMN2HSD17B10
SCHEMBL5117860 0.93 SIGMAR1 (0.41) ATMCACNA1BSMN1; SMN2SIGMAR1
Hydrochloric Acid SCHEMBL5117576 0.93 CYP2C19 (0.44) ATMCACNA1BCYP2C19SMN1; SMN2HSD17B10
Bromide SCHEMBL5123871 0.93 CYP2C19 (0.44) ATMCACNA1BCYP2C19SMN1; SMN2HSD17B10

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 3/4885CYP2C19 3106/4885

“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.