SCHEMBL5117857

SCHEMBL5117857

COc1ccc(CN2CCC(NC(=O)[C@H](CSCC3CCCCC3)NC(=O)[C@@H]3CSCN3C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.53
SIGMAR1 Q99720 1/20 0.39
ACKR3 P25106 3/20 0.39
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 4/20 0.38
ATM Q13315 1/20 0.37
DRD4 P21917 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5110231 0.93 CACNA1B (0.51) CACNA1BACKR3CYP2C19SMN1; SMN2MCHR1
SCHEMBL5113486 0.93 CACNA1B (0.51) CACNA1BSIGMAR1CYP2C19SMN1; SMN2ATM
SCHEMBL5118112 0.93 CACNA1B (0.51) CACNA1BSIGMAR1CYP2C19SMN1; SMN2MCHR1
SCHEMBL5124751 0.93 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL5124105 0.93 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL5123440 0.93 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL5123424 0.93 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL4564774 0.93 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5117572 0.92 CACNA1B (0.54) CACNA1BCYP2C19SMN1; SMN2MEN1KMT2A
Bromide SCHEMBL5123866 0.92 CACNA1B (0.54) CACNA1BCYP2C19SMN1; SMN2MEN1KMT2A

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-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-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 CACNA1B 3/4885SIGMAR1 2381/4885ACKR3 4573/4885

“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.