SCHEMBL6019220

SCHEMBL6019220

COC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC#N

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.81
CTSS P25774 2/20 0.81
CTSK P43235 2/20 0.81
TACR3 P29371 1/20 0.62
NMBR P28336 9/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
TACR1 P25103 3/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
ACE P12821 1/20 0.55
ECE1 P42892 1/20 0.54

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
SCHEMBL6020628 0.91 CTSL (0.68) CTSLCTSSCTSKTACR3NMBR
SCHEMBL6019706 0.91 CTSL (0.77) CTSLCTSSCTSKTACR3NMBR
SCHEMBL6020968 0.91 CTSL (0.77) CTSLCTSSCTSKTACR3NMBR
SCHEMBL6021511 0.90 CTSS (1.00) CTSLCTSSCTSKMAPTTACR1
SCHEMBL6023407 0.89 CTSL (0.74) CTSLCTSSCTSKTACR3NMBR
SCHEMBL6019857 0.89 CTSL (0.80) CTSLCTSSCTSKTACR3MAPT
SCHEMBL6020364 0.89 NMBR (0.77) CTSLCTSSCTSKTACR3NMBR
SCHEMBL6019124 0.89 CTSL (0.73) CTSLCTSSCTSKTACR3NMBR
SCHEMBL8482904 0.88 MAPT (0.75) CTSLCTSSCTSKTACR3NMBR
SCHEMBL6020516 0.87 CTSL (0.72) CTSLCTSSCTSKTACR3NMBR

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 11 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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO 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 CTSL 2274/4885CTSS 2720/4885CTSK 2529/4885

“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.