SCHEMBL5117829

SCHEMBL5117829

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
EPHX2 P34913 3/20 0.42
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MC4R P32245 1/20 0.37
MC5R P33032 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5113474 0.93 CACNA1B (0.50) CACNA1BEPHX2ALDH1A1ABL1RIN1
SCHEMBL5118112 0.89 CACNA1B (0.51) CACNA1BLMNAMC4RMC5RL3MBTL1
SCHEMBL7204424 0.89 CACNA1B (0.51) CACNA1BEPHX2LMNAALDH1A1L3MBTL1
SCHEMBL5353338 0.86 CACNA1B (0.49) CACNA1BL3MBTL1KMT2AMEN1ATM
SCHEMBL5117831 0.85 EPHX2 (0.43) CACNA1BEPHX2LMNAALDH1A1MC4R
SCHEMBL5114271 0.85 EPHX2 (0.46) EPHX2LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL5364041 0.85 CACNA1B (0.54) CACNA1BALDH1A1L3MBTL1ATMHSD17B10
SCHEMBL5123440 0.84 CACNA1B (0.55) CACNA1BALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5123424 0.84 CACNA1B (0.55) CACNA1BALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL5124105 0.84 CACNA1B (0.55) CACNA1BALDH1A1L3MBTL1KMT2AMEN1

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 8 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-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 3/4885EPHX2 2908/4885LMNA 1043/4885

“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.