SCHEMBL16617398

SCHEMBL16617398

N#CC1(NC(=O)[C@@H]2CCCC[C@H]2c2oc(-c3cccc(Cl)c3)nc2-c2ccc(Br)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.57
CTSS P25774 6/20 0.38
CTSB P07858 5/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.35
USP30 Q70CQ3 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL16618002 0.90 CTSK (0.63) CTSKCTSSCTSBKCNH2
SCHEMBL16617491 0.86 CTSK (0.78) CTSKCTSSCTSBKCNH2MEN1
SCHEMBL16617489 0.86 CTSK (0.69) CTSKCTSSCTSBKCNH2MEN1
SCHEMBL16617996 0.86 CTSK (0.74) CTSKCTSSCTSBKCNH2CTSL
SCHEMBL16617381 0.83 IKBKB (0.39) CTSKMEN1KMT2ACNR2
SCHEMBL16616900 0.83 IKBKB (0.39) CTSKMEN1KMT2ACNR2
SCHEMBL16618005 0.81 SLC6A2 (0.43) CTSKCNR2
SCHEMBL16638002 0.81 SLC6A2 (0.43) CTSKCNR2
SCHEMBL16618169 0.81 CTSK (0.62) CTSKCTSSCTSBKCNH2MEN1
SCHEMBL16617671 0.79 CTSK (0.54) CTSKCTSSCTSBKCNH2

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
EP-3055314-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-09-12 EP disclosed
US-9458181-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-04 US disclosed
US-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2015-04-09 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 (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-20150099719-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885CTSS 2/4885CTSB 1/4885

“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.