SCHEMBL16636351

SCHEMBL16636351

CC(C)(C)OC(=O)C1CCC(F)(F)CC1C(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 1/20 0.30

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
SCHEMBL16636353 1.00 HRH3 (0.32) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL16636152 0.86 SLC6A12 (0.35) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL16635681 0.84 KCNQ3 (0.33) HRH3MAPK1CHRM2CHRM3MEN1
SCHEMBL16635680 0.84 KCNQ3 (0.33) HRH3MAPK1CHRM2CHRM3MEN1
SCHEMBL16635962 0.84 CHRM2 (0.31) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL16635964 0.84 CHRM2 (0.31) HRH3MAPK1CHRM2CHRM1CHRM3
SCHEMBL9450418 0.81 KCNQ3 (0.33) KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL17008630 0.78 CHRM2 (0.35) CHRM2CHRM3KCNQ3KCNQ2KCNQ4
SCHEMBL18279798 0.78 CHRM2 (0.35) CHRM2CHRM3KCNQ3KCNQ2KCNQ4
SCHEMBL16635714 0.76 SLC6A12 (0.40) MEN1KMT2AKCNQ3KCNQ2KCNQ4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US disclosed
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ HRH3 1600/4885MAPK1 3353/4885CHRM2 4350/4885

“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.