SCHEMBL8086589

SCHEMBL8086589

CC1CCC(C)(C(NC(=O)c2ccccc2Br)c2ccccc2)N(C)C1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 17/20 0.52
ALDH1A1 P00352 1/20 0.46
SLC6A5 Q9Y345 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13970248 0.88 SLC6A9 (0.53) SLC6A9ALDH1A1SLC6A5
SCHEMBL8091759 0.87 SLC6A9 (0.67) SLC6A9SLC6A5
SCHEMBL8085504 0.87 SLC6A9 (0.67) SLC6A9SLC6A5
SCHEMBL13970230 0.86 SLC6A9 (0.58) SLC6A9SLC6A5
SCHEMBL8091646 0.86 SLC6A9 (0.56) SLC6A9SLC6A5
SCHEMBL8091798 0.85 SLC6A9 (0.57) SLC6A9
SCHEMBL13970228 0.83 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL8086612 0.83 SLC6A9 (0.55) SLC6A9SLC6A5
SCHEMBL13970163 0.82 SLC6A9 (0.64) SLC6A9SLC6A5
SCHEMBL8088678 0.82 SLC6A9 (0.48) SLC6A9SLC6A5MEN1KMT2A

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-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 US disclosed
WO-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 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-20090030033-A1 Novel Compounds 894 AZI2, TPMT, AMPD2 SLC6A9 4382/4885ALDH1A1 1930/4885SLC6A5 3965/4885

“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.