SCHEMBL6501266

SCHEMBL6501266

COCCOCCN1CCC(C#N)(NC(=O)C(CCC(C)(C)C)Nc2nc(=O)oc3ccccc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.35
CTSS P25774 9/20 0.34
CTSK P43235 6/20 0.33
CTSB P07858 5/20 0.33
HTR4 Q13639 2/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6502940 0.91 CTSL (0.35) CTSLCTSSCTSKCTSBKCNH2
SCHEMBL6210402 0.89 CTSS (0.43) CTSLCTSSCTSKCTSB
SCHEMBL8256796 0.88 CTSS (0.44) CTSLCTSSCTSKCTSB
SCHEMBL6836712 0.85 CTSL (0.38) CTSLCTSSCTSKCTSB
SCHEMBL8251702 0.83 CTSS (0.46) CTSLCTSSCTSKCTSB
SCHEMBL6832858 0.83 CTSL (0.37) CTSLCTSSCTSKCTSB
SCHEMBL8258104 0.82 CTSS (0.44) CTSLCTSSCTSKCTSB
SCHEMBL6213123 0.82 CTSS (0.51) CTSLCTSSCTSKCTSB
SCHEMBL6837095 0.82 CTSL (0.37) CTSLCTSSCTSKCTSB
SCHEMBL7685576 0.82 CTSL (0.38) CTSLCTSSCTSKCTSB

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-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7465745-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 US disclosed
US-20040180886-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-09-16 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-20040180886-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ CTSL 10/4885CTSS 1/4885CTSK 7/4885
US-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ CTSL 10/4885CTSS 1/4885CTSK 7/4885

“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.