SCHEMBL6020039

SCHEMBL6020039

CCCCCCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCC#N

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMBR P28336 12/20 0.66
CTSL P07711 2/20 0.59
TACR1 P25103 1/20 0.59
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
TACR3 P29371 1/20 0.56
MMP2 P08253 3/20 0.55
MMP8 P22894 3/20 0.55
MMP1 P03956 2/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
MMP7 P09237 1/20 0.54
LMNA P02545 1/20 0.53
MMP9 P14780 1/20 0.53

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
SCHEMBL6020210 0.96 NMBR (0.66) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6020820 0.92 CTSL (0.69) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6019326 0.89 NMBR (0.65) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6020516 0.88 CTSL (0.72) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6020882 0.86 NMBR (0.66) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6020628 0.86 CTSL (0.68) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6020044 0.86 NMBR (0.58) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6020879 0.86 NMBR (0.79) NMBRCTSLTACR1CTSSCTSK
SCHEMBL6019142 0.85 NMBR (0.65) NMBRCTSLTACR1CTSSCTSK
SCHEMBL8797226 0.85 NMBR (0.70) NMBRTACR1TACR3MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 NMBR 2003/4885CTSL 2274/4885TACR1 3501/4885

“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.