SCHEMBL6020071

SCHEMBL6020071

N#CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.74
CTSS P25774 1/20 0.69
CTSK P43235 1/20 0.69
MEN1 O00255 1/20 0.60
HCRTR1 O43613 1/20 0.60
KMT2A Q03164 1/20 0.60
TACR3 P29371 1/20 0.57
MAPT P10636 1/20 0.56
NMBR P28336 7/20 0.56
TACR1 P25103 2/20 0.56
BRS3 P32247 2/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ACE P12821 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
SCHEMBL6021348 0.94 CTSL (0.66) CTSLCTSSCTSKMEN1HCRTR1
SCHEMBL6020782 0.94 CTSL (0.71) CTSLCTSSCTSKMEN1HCRTR1
SCHEMBL6021334 0.92 CTSL (0.74) CTSLCTSSCTSKMEN1HCRTR1
SCHEMBL6021325 0.92 CTSL (0.74) CTSLCTSSCTSKMEN1HCRTR1
SCHEMBL6019440 0.90 CTSL (0.61) CTSLCTSSCTSKMEN1HCRTR1
SCHEMBL6021235 0.90 CTSL (0.61) CTSLCTSSCTSKMEN1HCRTR1
SCHEMBL6020226 0.90 CTSL (0.60) CTSLCTSSCTSKMEN1HCRTR1
SCHEMBL6019882 0.90 CTSL (0.60) CTSLCTSSCTSKMEN1HCRTR1
SCHEMBL6020310 0.89 CTSL (0.77) CTSLCTSSCTSKTACR3MAPT
SCHEMBL6021106 0.89 CTSL (0.59) CTSLCTSSCTSKMEN1HCRTR1

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 9 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-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 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.