SCHEMBL14499809

SCHEMBL14499809

CCN1CCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(OCc3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.48
MMP9 P14780 9/20 0.48
MMP13 P45452 5/20 0.48
MMP3 P08254 7/20 0.47
MMP7 P09237 5/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
ADAM17 P78536 4/20 0.45
MMP2 P08253 1/20 0.45
MCHR2 Q969V1 1/20 0.45
MCHR1 Q99705 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL14499810 1.00 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14499807 1.00 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14499808 1.00 MMP1 (0.48) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5634226 0.92 MCHR1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4032723 0.85 MMP1 (0.61) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5634718 0.85 HCRTR1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5636064 0.85 MCHR1 (0.51) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5635556 0.84 MMP1 (0.53) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5635339 0.83 MMP1 (0.50) MMP1MMP9MMP13MMP3MMP7
SCHEMBL4038558 0.83 MMP1 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4189/4885MMP13 2519/4885

“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.