SCHEMBL5519199

SCHEMBL5519199

COC(=O)C(CC(C)C)OC(c1ccc(Br)cc1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.42
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 4/20 0.40
CHRM2 P08172 3/20 0.40
SLC6A4 P31645 3/20 0.40
HRH1 P35367 3/20 0.40
KCNH2 Q12809 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
LMNA P02545 3/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2D6 P10635 2/20 0.40
ADRA2B P18089 2/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HTR2C P28335 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40

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
Potassium SCHEMBL5517010 0.88 PMP22 (0.45) PMP22SLC6A3SLC6A2CHRM2SLC6A4
SCHEMBL5516998 0.88 PMP22 (0.45) PMP22SLC6A3SLC6A2CHRM2SLC6A4
Potassium Ion SCHEMBL5517001 0.87 PMP22 (0.42) PMP22SLC6A3SLC6A2CHRM2SLC6A4
SCHEMBL5518612 0.86 CTSK (0.50) CTSK
SCHEMBL5509570 0.85 KMT2A (0.46) SLC6A3SLC6A2CHRM2SLC6A4LMNA
SCHEMBL5518927 0.82 TDP1 (0.39) LMNAKMT2AKDM4EALDH1A1CTSK
SCHEMBL5514819 0.80 FPR2 (0.43) LMNAGAAKMT2AKCNA5KDM4E
SCHEMBL5516957 0.79 FFAR2 (0.38) LMNAMEN1KMT2APOLBALDH1A1
SCHEMBL5512480 0.73 CHRM2 (0.43) SLC6A3SLC6A2CHRM2SLC6A4LMNA
SCHEMBL5512484 0.73 CHRM2 (0.43) SLC6A3SLC6A2CHRM2SLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK PMP22 4521/4885SLC6A3 4220/4885SLC6A2 4276/4885

“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.