SCHEMBL7039749

SCHEMBL7039749

CC(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCC(NCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.59
L3MBTL1 Q9Y468 1/20 0.37
REN P00797 2/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GHSR Q92847 1/20 0.35
F12 P00748 3/20 0.35
MAPK1 P28482 1/20 0.34
BIRC2 Q13490 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
Hydrochloric Acid SCHEMBL5110297 0.99 CACNA1B (0.58) CACNA1BL3MBTL1RENF2F10
SCHEMBL7043951 0.91 CACNA1B (0.56) CACNA1BL3MBTL1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5123627 0.90 CACNA1B (0.56) CACNA1BL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7041980 0.89 CACNA1B (0.56) CACNA1BL3MBTL1RENMEN1KMT2A
Hydrochloric Acid SCHEMBL5125656 0.89 CACNA1B (0.55) CACNA1BL3MBTL1RENMEN1KMT2A
SCHEMBL7039752 0.83 CACNA1B (0.42) CACNA1BL3MBTL1RENMEN1KMT2A
SCHEMBL7039298 0.83 CACNA1B (0.57) CACNA1BL3MBTL1ALDH1A1
SCHEMBL7042268 0.83 CACNA1B (0.66) CACNA1BF2F10
Hydrochloric Acid SCHEMBL5123670 0.82 CACNA1B (0.56) CACNA1BL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL5110301 0.82 CACNA1B (0.41) CACNA1BL3MBTL1RENMEN1KMT2A

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-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
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 2759/4885REN 402/4885

“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.