SCHEMBL6020868

SCHEMBL6020868

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 6/20 0.64
TACR1 P25103 3/20 0.64
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CTSL P07711 2/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
CCKBR P32239 1/20 0.49
CTSC P53634 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RGS12 O14924 1/20 0.49
GAA P10253 1/20 0.49
ECE1 P42892 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TACR3 P29371 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 0.91 CTSL (0.54) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020369 0.90 NMBR (0.65) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020872 0.90 CTSL (0.55) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020622 0.89 TACR1 (0.56) NMBRTACR1CTSLCTSSCTSK
SCHEMBL6020206 0.88 NMBR (0.53) NMBRCTSLCTSSCTSKMMP9
SCHEMBL6019136 0.87 NMBR (0.51) NMBRTACR1MAPTSMN1; SMN2CTSL
SCHEMBL6020030 0.86 CCKBR (0.54) NMBRCTSLCTSSCTSKMMP9
SCHEMBL6021347 0.86 TACR1 (0.63) TACR1MAPTSMN1; SMN2CTSLCTSS
SCHEMBL6021226 0.86 CTSL (0.70) TACR1MAPTSMN1; SMN2CTSLCTSS
SCHEMBL6021101 0.85 MMP9 (0.57) TACR1CTSLCTSSCTSKMMP9

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 2003/4885TACR1 3501/4885MAPT 4235/4885

“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.