SCHEMBL12440413

SCHEMBL12440413

CC(C)(C)OC(=O)N1CC=C(c2ccc(CC(=O)O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
PDK4 Q16654 1/20 0.55
GRM1 Q13255 9/20 0.52
GRM5 P41594 8/20 0.52
WNT3A P56704 1/20 0.51
HTR6 P50406 1/20 0.50
CDK7 P50613 1/20 0.46
CDK13 Q14004 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TNK2 Q07912 1/20 0.45
BTK Q06187 1/20 0.44
KIT P10721 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL14790770 0.90 NAMPT (0.56) NAMPTPDK4GRM1GRM5WNT3A
SCHEMBL14990423 0.88 NAMPT (0.57) NAMPTPDK4GRM1GRM5WNT3A
SCHEMBL17876418 0.86 NAMPT (0.57) NAMPTPDK4GRM1GRM5WNT3A
SCHEMBL14710349 0.86 NAMPT (0.53) NAMPTPDK4GRM1GRM5WNT3A
SCHEMBL22325023 0.85 NAMPT (0.56) NAMPTPDK4GRM1GRM5WNT3A
SCHEMBL19989639 0.85 NAMPT (0.67) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL2239831 0.84 NAMPT (0.66) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL8912847 0.84 NAMPT (0.63) NAMPTPDK4GRM1GRM5HTR6
SCHEMBL22340252 0.84 NAMPT (0.55) NAMPTPDK4GRM1GRM5WNT3A
SCHEMBL31198982 0.84 NAMPT (0.58) NAMPTPDK4GRM1GRM5HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 NAMPT 730/4885PDK4 3853/4885GRM1 3917/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 NAMPT 739/4885PDK4 3868/4885GRM1 3917/4885

“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.