SCHEMBL6627468

SCHEMBL6627468

O=C(CC(NC(=O)[C@@H]1CCCN2C(=O)CCC(NC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)N12)c1ccccc1)CN1CCCCC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.46
LCK P06239 11/20 0.43
IL1B P01584 2/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
LTA4H P09960 1/20 0.39

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
SCHEMBL6626815 0.81 CASP1 (0.45) CASP1LCKIL1BMMEACE
SCHEMBL6629248 0.78 CASP1 (0.42) CASP1LCKIL1BMMEACE
SCHEMBL6626933 0.78 LCK (0.54) CASP1LCKMMEACE
SCHEMBL6626934 0.78 LCK (0.54) CASP1LCKMMEACE
SCHEMBL6626636 0.77 LCK (0.53) CASP1LCKMMEACE
SCHEMBL6628293 0.75 LCK (0.51) CASP1LCKIL1BMMEACE
SCHEMBL6631022 0.75 LCK (0.51) CASP1LCKIL1BMMEACE
SCHEMBL6627256 0.73 CASP1 (0.48) CASP1LCKIL1BMMEACE
SCHEMBL6627258 0.73 CASP1 (0.48) CASP1LCKIL1BMMEACE
SCHEMBL6628142 0.72 CASP1 (0.48) CASP1LCKIL1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 EP claimed
US-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof AVENTIS PHARMA S.A. (FR) 2003-05-29 US claimed
EP-1246824-B1 CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AVENTIS PHARMA SA (FR) 2004-06-09 EP disclosed
US-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof AVENTIS PHARMA S.A. (FR) 2003-05-29 US 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-20030100550-A1 Carboxamide diazepin derivatives, preparation method, use as medicines, pharmaceutical compositions and use thereof HRH4, HRH3, HRH2 CASP1 2506/4885LCK 4642/4885IL1B 2994/4885

“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.