SCHEMBL25857480

SCHEMBL25857480

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
SLC6A2 P23975 6/20 0.46
AOC3 Q16853 1/20 0.44
SLC6A3 Q01959 3/20 0.41
HTR6 P50406 5/20 0.41
GBA1 P04062 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CCR5 P51681 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 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
SCHEMBL25260933 0.85 SLC6A4 (0.46) SLC6A4SLC6A2AOC3SLC6A3HTR6
SCHEMBL25259285 0.84 KDM4E (0.50) SLC6A4SLC6A2AOC3SLC6A3
SCHEMBL31068698 0.84 KDM4E (0.50) SLC6A4SLC6A2AOC3SLC6A3
SCHEMBL25853034 0.83 AOC3 (0.43) SLC6A4SLC6A2AOC3SLC6A3CCR5
SCHEMBL25833472 0.82 SLC6A4 (0.47) SLC6A4SLC6A2AOC3SLC6A3CCR5
SCHEMBL25832945 0.80 SLC6A2 (0.52) SLC6A4SLC6A2AOC3GBA1OPRM1
SCHEMBL25833552 0.79 AOC3 (0.43) SLC6A4SLC6A2AOC3SLC6A3GBA1
SCHEMBL25833514 0.76 AOC3 (0.48) SLC6A4SLC6A2AOC3SLC6A3GBA1
SCHEMBL25833347 0.75 AOC3 (0.47) SLC6A4SLC6A2AOC3GBA1
SCHEMBL25857362 0.74 AOC3 (0.46) SLC6A4SLC6A2AOC3GBA1

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
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP 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-11827637-B2 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.