SCHEMBL5124804

SCHEMBL5124804

CN(c1ccccc1)c1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.67
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.39
REN P00797 7/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KLKB1 P03952 1/20 0.35
CYP3A4 P08684 1/20 0.35
MMP1 P03956 1/20 0.34
FCER2 P06734 1/20 0.34
ACKR3 P25106 1/20 0.34

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
SCHEMBL5355436 0.93 CACNA1B (0.64) CACNA1BATMHSD17B10RENMEN1
SCHEMBL4841903 0.90 CACNA1B (0.81) CACNA1BATMHSD17B10RENMEN1
SCHEMBL5112735 0.89 CACNA1B (0.66) CACNA1BATMHSD17B10RENMEN1
SCHEMBL5350405 0.88 CACNA1B (0.70) CACNA1BATMHSD17B10RENMEN1
SCHEMBL5349399 0.88 CACNA1B (0.69) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL5345740 0.88 CACNA1B (0.69) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL5345727 0.88 CACNA1B (0.69) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL5350462 0.88 CACNA1B (0.69) CACNA1BATMHSD17B10MEN1KMT2A
SCHEMBL14210090 0.87 CACNA1B (0.52) CACNA1BATMHSD17B10
SCHEMBL5110969 0.87 CACNA1B (0.63) CACNA1BATMHSD17B10RENKMT2A

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 CACNA1B 3/4885ATM 2618/4885HSD17B10 4741/4885

“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.