SCHEMBL4837844

SCHEMBL4837844

CCC(C)(C)CCC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 3/20 0.49
KIF11 P52732 6/20 0.46
SLC1A2 P43004 4/20 0.45
SLC1A1 P43005 4/20 0.45
SLC1A3 P43003 3/20 0.45
GRIK1 P39086 3/20 0.45
GRIK2 Q13002 3/20 0.45
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GSR P00390 1/20 0.45
CYP1A2 P05177 1/20 0.45
GRM5 P41594 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45

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
SCHEMBL4838885 1.00 BHMT (0.49) BHMTKIF11SLC1A2SLC1A1SLC1A3
SCHEMBL23879883 0.86 GSR (0.52) BHMTSLC1A2SLC1A1SLC1A3GRIK1
SCHEMBL5281759 0.83 BHMT (0.49) BHMTKIF11SLC1A2SLC1A1SLC1A3
SCHEMBL18894223 0.83 BHMT (0.49) BHMTKIF11SLC1A2SLC1A1SLC1A3
SCHEMBL5697661 0.80 KIF11 (0.50) BHMTKIF11SLC1A2SLC1A1SLC1A3
SCHEMBL8418914 0.80 KIF11 (0.50) BHMTKIF11SLC1A2SLC1A1SLC1A3
SCHEMBL14420362 0.80 KIF11 (0.50) BHMTKIF11SLC1A2SLC1A1SLC1A3
SCHEMBL19734386 0.79 BHMT (0.45) BHMTKIF11SLC1A2SLC1A1SLC1A3
SCHEMBL8260017 0.79 CA1 (0.39) BHMTKIF11SLC1A1GRIN2DGRIN3B
SCHEMBL7376089 0.78 SLC1A2 (0.43) BHMTKIF11SLC1A2SLC1A1SLC1A3

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 8 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
CN-100400511-C Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMA (US) 2008-07-09 CN disclosed
US-7326719-B2 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
CN-1761652-A Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMA (US) 2006-04-19 CN disclosed
EP-1606258-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-12-21 EP disclosed
US-20050222145-A1 Cathepsin S inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-06 US disclosed
WO-2004083182-A1 CATHEPSIN S INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-30 WO 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 BHMT 2145/4885KIF11 4360/4885SLC1A2 3186/4885
US-20050222145-A1 Cathepsin S inhibitors CTSS, CTSB, CTSZ BHMT 2207/4885KIF11 4310/4885SLC1A2 3131/4885

“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.