SCHEMBL6020901

SCHEMBL6020901

CCN(C#N)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.68
TACR1 P25103 6/20 0.61
CCKBR P32239 3/20 0.58
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
ITGB2 P05107 1/20 0.54
ICAM1 P05362 1/20 0.54
ITGAL P20701 1/20 0.54
ERAP2 Q6P179 1/20 0.53
CCKAR P32238 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 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
SCHEMBL6020321 0.91 CCKBR (0.57) CTSLTACR1CCKBRCA12CA1
SCHEMBL6020285 0.90 HDAC8 (0.56) CTSLTACR1CCKBRCA12CA1
SCHEMBL6019347 0.89 CCKBR (0.56) CTSLTACR1CCKBRITGB2ICAM1
SCHEMBL7067267 0.89 CTSL (0.55) CTSLTACR1CCKBRCA12CA1
SCHEMBL6021347 0.89 TACR1 (0.63) CTSLTACR1CCKBRMMP9MMP8
SCHEMBL6020717 0.88 CTSL (0.54) CTSLTACR1CCKBRERAP2CCKAR
SCHEMBL6020256 0.88 CTSL (0.71) CTSLTACR1CCKBRCA12CA1
SCHEMBL5526318 0.88 CTSL (0.71) CTSLTACR1CCKBRCA12CA1
SCHEMBL6020622 0.88 TACR1 (0.56) CTSLTACR1CCKBRMMP9MMP8
SCHEMBL6920813 0.88 CCKBR (0.54) CTSLTACR1CCKBRITGB2ICAM1

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
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-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 2274/4885TACR1 3501/4885CCKBR 531/4885

“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.