SCHEMBL4038558

SCHEMBL4038558

CN(C)CCNC(=O)C1CN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.51
MMP9 P14780 11/20 0.51
MMP3 P08254 11/20 0.51
MMP7 P09237 8/20 0.51
MMP13 P45452 8/20 0.51
MAPT P10636 1/20 0.48
ADAM17 P78536 6/20 0.47
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
LMNA P02545 1/20 0.44
FAAH O00519 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
SCHEMBL5635339 0.93 MMP1 (0.50) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5635556 0.91 MMP1 (0.53) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5634849 0.91 MMP1 (0.52) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4035430 0.84 MMP1 (0.47) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5635564 0.83 MMP1 (0.51) MMP1MMP9MMP3MMP7MMP13
SCHEMBL14499810 0.83 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL14499808 0.83 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL14499809 0.83 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL14499807 0.83 MMP1 (0.48) MMP1MMP9MMP3MMP7MMP13
SCHEMBL5634717 0.76 GAA (0.46) MMP1MMP9MMP3MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R MMP1 3474/4885MMP9 4189/4885MMP3 2393/4885

“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.