SCHEMBL4247208

SCHEMBL4247208

CC(C)(CNC(=O)O)C(=O)NN

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
RIPK1 Q13546 1/20 0.31

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
SCHEMBL4346271 0.77 CYP2C19 (0.36) CYP2D6CYP2C19PRSS1CTSGCTRB1
SCHEMBL16480859 0.77 CYP2D6 (0.39) CYP2D6CYP2C19PRSS1CTSGCTRB1
SCHEMBL13743905 0.76 TDP1 (0.43) CYP2D6
SCHEMBL31112120 0.74 CYP2C19 (0.33) CYP2D6CYP2C19PRSS1CTSGCTRB1
SCHEMBL12667948 0.74 CTSD (0.35)
SCHEMBL4241152 0.72
SCHEMBL2153338 0.72
SCHEMBL2040611 0.72
SCHEMBL1934610 0.71
Hydrochloric Acid SCHEMBL25356401 0.70 CYP2D6 (0.37) CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215743-A1 Tricyclic benzazepine derivatives and their use BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
CN-1926143-A Tricyclic benzazepine * derivatives as squalene synthase inhibitors for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2007-03-07 CN 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-20090215743-A1 Tricyclic benzazepine derivatives and their use CACNA1I, HDAC3, AADAC CYP2D6 597/4885CYP2C19 284/4885PRSS1 852/4885

“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.