SCHEMBL4842916

SCHEMBL4842916

O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1C(=O)CN1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.73
PSMB9 P28065 3/20 0.39
TACR2 P21452 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CTSD P07339 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
METAP2 P50579 1/20 0.36
PSMB8 P28062 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
PSMB10 P40306 1/20 0.35
PSMB5 P28074 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
SCHEMBL4843186 0.89 CACNA1B (0.78) CACNA1BHRH3METAP2MMP1
SCHEMBL4842928 0.88 CACNA1B (0.67) CACNA1BTACR2HRH3ALDH1A1METAP2
SCHEMBL5361319 0.88 CACNA1B (0.85) CACNA1BHRH3ALDH1A1METAP2MMP1
Hydrochloric Acid SCHEMBL4839604 0.87 CACNA1B (0.66) CACNA1BTACR2HRH3ALDH1A1METAP2
SCHEMBL4836018 0.87 CACNA1B (0.78) CACNA1BHRH3ALDH1A1METAP2MMP1
SCHEMBL4842850 0.86 CACNA1B (0.77) CACNA1BHRH3METAP2MMP1
SCHEMBL4844997 0.86 CACNA1B (0.76) CACNA1BHRH3METAP2MMP1MMP2
SCHEMBL4844835 0.86 CACNA1B (0.78) CACNA1BHRH3ALDH1A1METAP2MMP1
SCHEMBL4842922 0.85 CACNA1B (0.53) CACNA1BPSMB9TACR2HRH3CTSD
SCHEMBL4841903 0.85 CACNA1B (0.81) CACNA1BMETAP2

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-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-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 2/4885PSMB9 1894/4885TACR2 1189/4885

“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.