SCHEMBL6629364

SCHEMBL6629364

O=C(NC1CCCCC1)N[C@H]1CCC(=O)N2CCC[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)COC(=O)c3c(Cl)cccc3Cl)N2C1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.50
MME P08473 2/20 0.49
ACE P12821 2/20 0.49
LCK P06239 12/20 0.48
CASP3 P42574 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
IL1B P01584 1/20 0.44

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
SCHEMBL6631460 0.91 CASP1 (0.48) CASP1MMEACELCKCASP3
SCHEMBL6629120 0.90 CASP3 (0.48) CASP1MMEACELCKCASP3
SCHEMBL6629124 0.90 CASP3 (0.48) CASP1MMEACELCKCASP3
SCHEMBL6627304 0.89 LCK (0.48) CASP1MMEACELCKIL1B
SCHEMBL6627306 0.89 LCK (0.48) CASP1MMEACELCKIL1B
SCHEMBL6629068 0.88 CASP3 (0.44) CASP1MMEACELCKCASP3
SCHEMBL6629071 0.88 CASP3 (0.44) CASP1MMEACELCKCASP3
SCHEMBL6627545 0.88 LCK (0.47) CASP1MMEACELCK
SCHEMBL6627543 0.88 LCK (0.47) CASP1MMEACELCK
SCHEMBL6629773 0.87 CASP1 (0.44) CASP1MMEACELCKCASP3

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 3 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

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 2506/4885MME 2031/4885ACE 2615/4885

“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.