SCHEMBL6019536

SCHEMBL6019536

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.61
CTSB P07858 5/20 0.61
CTSL P07711 3/20 0.61
CTSK P43235 3/20 0.61
CTSC P53634 3/20 0.54
NLN Q9BYT8 1/20 0.51
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
OPRD1 P41143 1/20 0.50
DPP4 P27487 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL6019240 0.93 CTSS (0.60) CTSSCTSBCTSLCTSKCTSC
SCHEMBL6020723 0.87 NLN (0.52) CTSSCTSBCTSLCTSKCTSC
SCHEMBL5456972 0.84 CTSS (0.67) CTSSCTSBCTSLCTSKCTSC
SCHEMBL16626138 0.84 CTSS (0.67) CTSSCTSBCTSLCTSKCTSC
SCHEMBL5924660 0.84 CTSS (0.67) CTSSCTSBCTSLCTSKCTSC
SCHEMBL30104067 0.84 OPRD1 (0.54) CTSCNLNHTR2AHTR2CHTR2B
SCHEMBL5556817 0.84 NLN (0.62) CTSCNLNHTR2AHTR2CHTR2B
SCHEMBL6021309 0.84 CTSS (0.74) CTSSCTSBCTSLCTSK
SCHEMBL5966495 0.82 HTR2A (0.57) CTSCNLNHTR2AHTR2CHTR2B
SCHEMBL5557678 0.82 HTR2A (0.57) CTSCNLNHTR2AHTR2CHTR2B

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 7 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-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
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 CTSS 2720/4885CTSB 2514/4885CTSL 2274/4885

“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.