SCHEMBL4843400

SCHEMBL4843400

O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1CCOC1CCCCO1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.66
HRH3 Q9Y5N1 2/20 0.35
METAP2 P50579 1/20 0.35
PTGER4 P35408 2/20 0.34
BCL2 P10415 1/20 0.33
P2RX7 Q99572 3/20 0.33
P2RX3 P56373 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSS P25774 2/20 0.32
CPB2 Q96IY4 1/20 0.32
KLKB1 P03952 1/20 0.32
CTSL P07711 1/20 0.32
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32

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
SCHEMBL4836033 0.88 CACNA1B (0.72) CACNA1BHRH3METAP2PTGER4BCL2
Hydrochloric Acid SCHEMBL4844885 0.88 CACNA1B (0.71) CACNA1BHRH3METAP2PTGER4BCL2
SCHEMBL4836053 0.88 CACNA1B (0.72) CACNA1BHRH3METAP2PTGER4BCL2
SCHEMBL4842655 0.86 CACNA1B (0.71) CACNA1BHRH3METAP2PTGER4BCL2
SCHEMBL4842730 0.86 CACNA1B (0.72) CACNA1BHRH3METAP2PTGER4BCL2
SCHEMBL4843405 0.86 CACNA1B (0.48) CACNA1BHRH3PTGER4BCL2P2RX7
SCHEMBL4845051 0.86 CACNA1B (0.70) CACNA1BHRH3METAP2PTGER4BCL2
Hydrochloric Acid SCHEMBL4836808 0.85 CACNA1B (0.72) CACNA1BHRH3METAP2PTGER4BCL2
SCHEMBL4845039 0.84 CACNA1B (0.69) CACNA1BHRH3METAP2PTGER4BCL2
SCHEMBL4842928 0.83 CACNA1B (0.67) CACNA1BHRH3METAP2BCL2CTSS

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 2/4885HRH3 1526/4885METAP2 644/4885

“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.