SCHEMBL3934296

SCHEMBL3934296

CC(C)C[C@H](N)C(=O)NC1CCC(C)N(S(=O)(=O)c2ccccn2)CC1=O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.69
CTSL P07711 19/20 0.69
CTSS P25774 18/20 0.69
CTSV O60911 1/20 0.67
CTSB P07858 1/20 0.67

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
SCHEMBL4310385 1.00 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4323805 1.00 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4316429 1.00 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4312951 1.00 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4314612 0.89 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL5983017 0.88 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4318828 0.87 CTSK (0.70) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6744240 0.87 CTSK (0.70) CTSKCTSLCTSSCTSVCTSB
SCHEMBL21067433 0.84 CTSK (0.68) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4171722 0.84 CTSK (0.68) CTSKCTSLCTSSCTSVCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253904-A1 Process for the Preparation of a Tetrahydro-1H-Azepines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-10-08 US disclosed
EP-2044030-A1 PROCESS FOR THE PREPARATION OF A TETRAHYDRO-1H-AZEPINES Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-04-08 EP disclosed
WO-2008009671-A1 PROCESS FOR THE PREPARATION OF A TETRAHYDRO-1H-AZEPINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-01-24 WO 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-20090253904-A1 Process for the Preparation of a Tetrahydro-1H-Azepines DHPS, CYP1A1, POR CTSK 2636/4885CTSL 4206/4885CTSS 2581/4885

“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.