SCHEMBL5117573

SCHEMBL5117573

COC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1B Q00975 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
GLA P06280 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
MCHR1 Q99705 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL5124110 0.93 CYP2C19 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
SCHEMBL4564775 0.93 CYP2C19 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
SCHEMBL5124757 0.93 CYP2C19 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
SCHEMBL5123449 0.93 CYP2C19 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
SCHEMBL5123437 0.93 CYP2C19 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
SCHEMBL7039299 0.93 CYP2C19 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
SCHEMBL7768821 0.93 TSHR (0.43) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
Hydrochloric Acid SCHEMBL7205371 0.93 SMN1; SMN2 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
Bromide SCHEMBL5123871 0.93 CYP2C19 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7
Hydrochloric Acid SCHEMBL5117576 0.93 CYP2C19 (0.44) TSHRCYP2C19SMN1; SMN2CACNA1BDPP7

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 TSHR 4788/4885CYP2C19 3106/4885SMN1; SMN2 172/4885

“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.