SCHEMBL25833472

SCHEMBL25833472

CN(CC(CO)c1cccc(Cl)c1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.47
SLC6A2 P23975 7/20 0.47
AOC3 Q16853 1/20 0.43
CCR5 P51681 5/20 0.39
SLC6A3 Q01959 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL31068698 0.84 KDM4E (0.50) SLC6A4SLC6A2AOC3SLC6A3MEN1
SCHEMBL25259285 0.84 KDM4E (0.50) SLC6A4SLC6A2AOC3SLC6A3MEN1
SCHEMBL25857480 0.82 SLC6A4 (0.46) SLC6A4SLC6A2AOC3CCR5SLC6A3
SCHEMBL25260933 0.82 SLC6A4 (0.46) SLC6A4SLC6A2AOC3SLC6A3
SCHEMBL31332659 0.70 PNMT (0.44) AOC3MEN1KMT2A
SCHEMBL31332655 0.70 PNMT (0.44) AOC3MEN1KMT2A
SCHEMBL25262299 0.68 SLC6A2 (0.43) SLC6A4SLC6A2AOC3
SCHEMBL31068677 0.68 SLC6A2 (0.43) SLC6A4SLC6A2AOC3
SCHEMBL25262310 0.67 SLC6A2 (0.55) SLC6A4SLC6A2AOC3SLC6A3
SCHEMBL31664244 0.67 SLC6A2 (0.55) SLC6A4SLC6A2AOC3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 SLC6A4 2807/4885SLC6A2 1803/4885AOC3 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.