SCHEMBL6020622

SCHEMBL6020622

CCN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.56
CTSL P07711 2/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP14 P50281 1/20 0.54
CTSC P53634 2/20 0.51
CCKBR P32239 2/20 0.51
TACR3 P29371 1/20 0.50
MEN1 O00255 1/20 0.50
HCRTR1 O43613 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 1/20 0.49
NMBR P28336 3/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL6019319 0.92 CTSL (0.54) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6021101 0.91 MMP9 (0.57) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6021347 0.91 TACR1 (0.63) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6020207 0.90 KDM4E (0.52) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6020872 0.90 CTSL (0.55) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6021226 0.90 CTSL (0.70) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6020868 0.89 NMBR (0.64) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6020035 0.89 MMP9 (0.53) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6019223 0.88 MMP9 (0.58) TACR1CTSLCTSSCTSKMMP9
SCHEMBL6020206 0.88 NMBR (0.53) CTSLCTSSCTSKMMP9MMP8

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 TACR1 3501/4885CTSL 2274/4885CTSS 2720/4885

“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.