SCHEMBL5636064

SCHEMBL5636064

CCN1CCCC1CNC(=O)C1CN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.51
MCHR2 Q969V1 1/20 0.51
MMP1 P03956 7/20 0.47
MMP9 P14780 7/20 0.47
MMP13 P45452 6/20 0.47
MMP3 P08254 4/20 0.44
MMP7 P09237 4/20 0.44
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
PAX8 Q06710 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL5634226 0.93 MCHR1 (0.55) MCHR1MCHR2MMP1MMP9MMP13
SCHEMBL13886800 0.86 MMP1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14499807 0.85 MMP1 (0.48) MCHR1MCHR2MMP1MMP9MMP13
SCHEMBL14499810 0.85 MMP1 (0.48) MCHR1MCHR2MMP1MMP9MMP13
SCHEMBL14499808 0.85 MMP1 (0.48) MCHR1MCHR2MMP1MMP9MMP13
SCHEMBL14499809 0.85 MMP1 (0.48) MCHR1MCHR2MMP1MMP9MMP13
SCHEMBL4033428 0.83 MMP1 (0.59) MCHR1MCHR2MMP1MMP9MMP13
SCHEMBL4032723 0.83 MMP1 (0.61) MCHR1MMP1MMP9MMP13MMP3
SCHEMBL5634718 0.81 HCRTR1 (0.47) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5635564 0.76 MMP1 (0.51) MCHR1MMP1MMP9MMP13MMP3

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 5 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
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 MCHR1 1173/4885MCHR2 658/4885MMP1 3474/4885

“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.