SCHEMBL14686643

SCHEMBL14686643

COc1ccc(CN2CC(C)NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.62
MMP13 P45452 2/20 0.62
GRM2 Q14416 2/20 0.56
GAA P10253 1/20 0.54
CMA1 P23946 1/20 0.50
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 2/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL14686990 1.00 MMP1 (0.62) MMP1MMP13GRM2GAACMA1
SCHEMBL14686642 1.00 MMP1 (0.62) MMP1MMP13GRM2GAACMA1
SCHEMBL21384870 0.83 SMN1; SMN2 (0.50) MMP1MMP13GAAKMT2AMAPT
SCHEMBL14686646 0.82 MMP1 (0.60) MMP1MMP13GRM2GAACMA1
SCHEMBL4357223 0.81 MMP13 (0.54) MMP1MMP13GRM2ALDH1A1MMP2
SCHEMBL10277306 0.81 MMP1 (0.58) MMP1MMP13GRM2GAACMA1
SCHEMBL10277302 0.81 MMP1 (0.58) MMP1MMP13GRM2GAACMA1
SCHEMBL6689107 0.77 MMP13 (1.00) MMP1MMP13KMT2AMMP2MMP3
SCHEMBL8348748 0.76 GRM2 (0.56) MMP1MMP13GRM2GAACMA1
SCHEMBL6689092 0.75 MMP13 (0.67) MMP1MMP13GRM2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 MMP1 8/4885MMP13 6/4885GRM2 3000/4885

“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.