SCHEMBL25833645

SCHEMBL25833645

CC(CN(C)C)c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
AOC3 Q16853 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
GBA1 P04062 2/20 0.34
NR1I2 O75469 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SLC22A1 O15245 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL25853272 0.88 SLC6A2 (0.33) HTR2AHRH1AOC3TDP1
SCHEMBL25833265 0.87 TRPM8 (0.39) HTR2AHRH1AOC3GBA1TRPM8
SCHEMBL25833306 0.87 AOC3 (0.31) HTR2AHRH1AOC3
SCHEMBL4662642 0.80 AOC3 (0.51) HTR2AHRH1AOC3TDP1SLC22A1
SCHEMBL19993093 0.78 AOC3 (0.48) HTR2AHRH1AOC3TDP1
SCHEMBL21787711 0.78 AOC3 (0.48) HTR2AHRH1AOC3TDP1
SCHEMBL23360961 0.77 GBA1 (0.46) HTR2AHRH1AOC3TDP1GBA1
SCHEMBL25257597 0.77 HTR2A (0.34) HTR2AHRH1AOC3TDP1GBA1
SCHEMBL25257589 0.77 AOC3 (0.47) HTR2AHRH1AOC3TDP1GBA1
SCHEMBL25852688 0.76 HTR2A (0.37) HTR2AHRH1AOC3TDP1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827637-B2 Azaindole derivatives and their use as ERK kinase inhibitors AGV DISCOVERY (FR) 2023-11-28 US disclosed
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 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-11827637-B2 Azaindole derivatives and their use as ERK kinase inhibitors MAPKAPK2, MAPK1, MAPK7 HTR2A 1968/4885HRH1 2554/4885AOC3 3111/4885
US-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 HTR2A 1968/4885HRH1 2554/4885AOC3 3111/4885

“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.