SCHEMBL4842928

SCHEMBL4842928

O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1CC(=O)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.67
HRH3 Q9Y5N1 1/20 0.37
CTSS P25774 8/20 0.36
METAP2 P50579 1/20 0.36
CTSL P07711 5/20 0.35
CTSB P07858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MAPK14 Q16539 1/20 0.35
TMPRSS11D O60235 1/20 0.35
CTSK P43235 2/20 0.34
TACR2 P21452 2/20 0.34
BCL2 P10415 1/20 0.34
PSMB8 P28062 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
Hydrochloric Acid SCHEMBL4839604 0.99 CACNA1B (0.66) CACNA1BHRH3CTSSMETAP2CTSL
SCHEMBL4842730 0.90 CACNA1B (0.72) CACNA1BHRH3CTSSMETAP2CTSL
Hydrochloric Acid SCHEMBL4836808 0.89 CACNA1B (0.72) CACNA1BHRH3CTSSMETAP2CTSL
SCHEMBL4842916 0.88 CACNA1B (0.73) CACNA1BHRH3METAP2ALDH1A1HTT
SCHEMBL4836053 0.87 CACNA1B (0.72) CACNA1BHRH3CTSSMETAP2CTSL
SCHEMBL4842655 0.85 CACNA1B (0.71) CACNA1BHRH3CTSSMETAP2CTSL
SCHEMBL4842941 0.85 CACNA1B (0.48) CACNA1BHRH3CTSSCTSLCTSB
SCHEMBL4836033 0.85 CACNA1B (0.72) CACNA1BHRH3CTSSMETAP2CTSL
Hydrochloric Acid SCHEMBL4839612 0.85 CACNA1B (0.47) CACNA1BHRH3CTSSCTSLCTSB
SCHEMBL4845039 0.84 CACNA1B (0.69) CACNA1BHRH3CTSSMETAP2CTSL

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-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US claimed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US claimed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CACNA1B 2/4885HRH3 1526/4885CTSS 601/4885

“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.