SCHEMBL6020488

SCHEMBL6020488

CCN(C#N)C(=O)C(C)(C)Cc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
CTSK P43235 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
PYCR1 P32322 1/20 0.38
ACHE P22303 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CASR P41180 6/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
KCNH2 Q12809 5/20 0.38
CYP2D6 P10635 3/20 0.38
SLC22A12 Q96S37 1/20 0.38
BCHE P06276 1/20 0.37
ADRB2 P07550 2/20 0.36

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
SCHEMBL6020589 0.84 RIPK1 (0.44) CYP1A2CTSKCTSBCTSSSLC6A2
SCHEMBL4610682 0.74 CYP1A2 (0.50) CYP1A2CYP2A6CTSKCTSBCTSS
SCHEMBL6019431 0.74 CTSS (0.53) CYP1A2CYP2A6CTSKCTSBCTSS
SCHEMBL12802204 0.71 CYP1A2 (0.46) CYP1A2CYP2A6MMP1MMP9MMP13
SCHEMBL6019874 0.71 CTSS (0.68) CTSKCTSBCTSSMMP9
SCHEMBL6020489 0.71 CTSS (0.45) CTSKCTSBCTSSMMP1MMP9
SCHEMBL6020743 0.70 MMP9 (0.53) CTSKCTSBCTSSMMP9
SCHEMBL6021205 0.70 MMP9 (0.53) CTSKCTSBCTSSMMP9
SCHEMBL6021440 0.69 CTSB (0.53) CTSKCTSBCTSSMMP9
SCHEMBL6020196 0.69 ALDH1A1 (0.46) CTSKCTSSCYP2D6

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 12 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-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 CYP1A2 3116/4885CYP2A6 1265/4885CTSK 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.