SCHEMBL5117950

SCHEMBL5117950

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.46
ATM Q13315 1/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAMP1 O60894 1/20 0.35
CALCRL Q16602 1/20 0.35
F12 P00748 5/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.33
USP30 Q70CQ3 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL5344710 0.93 CACNA1B (0.52) CACNA1BATMHSD17B10ALDH1A1KDM4E
SCHEMBL5112728 0.91 CACNA1B (0.49) CACNA1BATMHSD17B10ALDH1A1MC4R
SCHEMBL7039188 0.90 CACNA1B (0.48) CACNA1BATMHSD17B10ALDH1A1KDM4E
SCHEMBL5117824 0.88 KDM4E (0.53) CACNA1BATMHSD17B10ALDH1A1KDM4E
SCHEMBL5124712 0.84 CACNA1B (0.51) CACNA1BATMHSD17B10ALDH1A1NPSR1
SCHEMBL5117630 0.84 CACNA1B (0.51) CACNA1BATMHSD17B10ALDH1A1KDM4E
SCHEMBL5113167 0.84 CACNA1B (0.53) CACNA1BATMHSD17B10ALDH1A1MC4R
SCHEMBL5116757 0.84 CYP3A4 (0.42) CACNA1BALDH1A1KDM4ENPSR1MC4R
SCHEMBL5117954 0.83 ALDH1A1 (0.39) CACNA1BHSD17B10ALDH1A1KDM4ENPSR1
SCHEMBL7043951 0.82 CACNA1B (0.56) CACNA1BATMHSD17B10ALDH1A1KDM4E

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 3/4885ATM 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.