Sugi Predict

Sugi Predict / Compounds / SCHEMBL7039752

SCHEMBL7039752

SCHEMBL7039752

CC(C)OC(=O)N1[CH]CSC1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCC(NCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 6/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ FABP6 P51161 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ REN P00797 2/20 0.33

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
Hydrochloric Acid SCHEMBL5110301 0.99 CACNA1B (0.41) CACNA1BL3MBTL1ALDH1A1NPSR1KDM4E
SCHEMBL7043953 0.91 MAPK1 (0.41) CACNA1BL3MBTL1ALDH1A1NPSR1KDM4E
Hydrochloric Acid SCHEMBL5123628 0.90 MAPK1 (0.41) CACNA1BL3MBTL1ALDH1A1NPSR1KDM4E
SCHEMBL7041982 0.89 CACNA1B (0.41) CACNA1BL3MBTL1ALDH1A1NPSR1KDM4E
Hydrochloric Acid SCHEMBL5125658 0.89 CACNA1B (0.40) CACNA1BL3MBTL1ALDH1A1NPSR1KDM4E
SCHEMBL7039749 0.83 CACNA1B (0.59) CACNA1BL3MBTL1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5110297 0.82 CACNA1B (0.58) CACNA1BL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5117632 0.81 CACNA1B (0.40) CACNA1BL3MBTL1ALDH1A1NPSR1KDM4E
SCHEMBL7202408 0.79 MAPK1 (0.40) CACNA1BALDH1A1NPSR1KDM4EMEN1
SCHEMBL5113170 0.79 MAPK1 (0.40) CACNA1BALDH1A1NPSR1KDM4EMEN1

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 5 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 — — 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 3/4885L3MBTL1 2759/4885ALDH1A1 3281/4885

“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.