SCHEMBL4459789

SCHEMBL4459789

CNC(=O)C1CNCCN1S(=O)(=O)C1CCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.41
MMP13 P45452 6/20 0.41
MMP9 P14780 4/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 1/20 0.41
ADAM17 P78536 3/20 0.38
EPHX2 P34913 2/20 0.37
SSTR4 P31391 2/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
APLNR P35414 2/20 0.32
SMYD3 Q9H7B4 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
PADI1 Q9ULC6 1/20 0.31
PADI4 Q9UM07 1/20 0.31

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
SCHEMBL4474762 0.81 MMP1 (0.45) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2916330 0.71 CHRNB2 (0.39) MMP1MMP13MMP9MMP3MMP7
SCHEMBL27638729 0.70 MMP1 (0.36) MMP1MMP13MMP9MMP3MMP7
SCHEMBL954492 0.68 CHRNB2 (0.37) MMP1MMP13MMP9MMP3MMP7
SCHEMBL2920031 0.68 MMP1 (0.37) MMP1MMP13MMP9MMP3MMP7
SCHEMBL15432299 0.68 CHRNB2 (0.37) MMP1MMP13MMP9MMP3MMP7
SCHEMBL26614323 0.68 MMP1 (0.42) MMP1MMP13MMP9MMP3MMP7
SCHEMBL4402268 0.67 MMP1 (0.43) MMP1MMP13MMP9MMP3MMP7
SCHEMBL5181754 0.67 MMP1 (0.36) MMP1MMP13MMP9MMP3MMP7
SCHEMBL5180788 0.66 MMP1 (0.38) MMP1MMP13MMP9MMP3MMP7

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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 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-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H MMP1 626/4885MMP13 553/4885MMP9 2144/4885

“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.