SCHEMBL4824903

SCHEMBL4824903

C[C@@H](CN1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
CTSL P07711 3/20 0.47
CTSB P07858 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CYP2D6 P10635 1/20 0.40
PREP P48147 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC4 P56524 2/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSS P25774 2/20 0.38

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
SCHEMBL21125085 1.00 CTSK (0.47) CTSKCTSLCTSBCA1CA2
SCHEMBL4703911 1.00 CTSK (0.47) CTSKCTSLCTSBCA1CA2
SCHEMBL28669035 1.00 CTSK (0.47) CTSKCTSLCTSBCA1CA2
SCHEMBL18215140 1.00 CTSK (0.47) CTSKCTSLCTSBCA1CA2
SCHEMBL18534563 0.98 CTSK (0.48) CTSKCTSLCTSBCA1CA2
SCHEMBL7510900 0.98 CTSK (0.48) CTSKCTSLCTSBCA1CA2
SCHEMBL12420756 0.98 CTSK (0.48) CTSKCTSLCTSBCA1CA2
Ammonia Solution, Strong SCHEMBL4701521 0.97 CTSK (0.47) CTSKCTSLCTSBCA1CA2
SCHEMBL4773114 0.86 CA1 (0.46) CTSKCTSLCTSBCA1CA2
SCHEMBL12260408 0.85 CTSK (0.49) CTSKCTSLCTSBCA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US 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 (2 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 CTSK 967/4885CTSL 2099/4885CTSB 614/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 CTSK 1247/4885CTSL 2285/4885CTSB 720/4885

“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.