SCHEMBL5654452

SCHEMBL5654452

CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(Br)cc1.CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.58
MMP9 P14780 3/20 0.58
MMP13 P45452 3/20 0.58
MMP3 P08254 2/20 0.58
MMP7 P09237 2/20 0.58
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA4 P22748 2/20 0.51
CA9 Q16790 2/20 0.51

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
SCHEMBL5320400 1.00 MMP1 (0.58) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5324061 1.00 MMP1 (0.58) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5654242 0.89 MMP1 (0.56) MMP1MMP9MMP13MMP3MMP7
SCHEMBL7892693 0.88 MMP1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL3715208 0.88 MMP1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5324458 0.88 MMP1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5324461 0.88 MMP1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5327846 0.87 MMP1 (0.50) MMP1MMP9MMP13MMP3MMP7
SCHEMBL12576676 0.86 HSD11B1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5322721 0.86 MMP1 (0.53) MMP1MMP9MMP13MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 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-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 MMP1 3234/4885MMP9 3039/4885MMP13 2567/4885

“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.