SCHEMBL6764464

SCHEMBL6764464

COc1cc2c(cc1OC)[C@]1(CC[C@@H](C(=O)OCc3ccccc3)CC1)N(CCN1C(=O)c3ccccc3C1=O)CC2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PARP1 P09874 1/20 0.41
MAPK1 P28482 1/20 0.38
GPR183 P32249 1/20 0.38
CHRNA7 P36544 2/20 0.37
MTNR1B P49286 2/20 0.37
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL6764465 1.00 ALDH1A1 (0.44) ALDH1A1PARP1MAPK1GPR183CHRNA7
SCHEMBL6764426 0.95 ALDH1A1 (0.47) ALDH1A1PARP1MAPK1GPR183ACHE
SCHEMBL6764421 0.95 ALDH1A1 (0.47) ALDH1A1PARP1MAPK1GPR183ACHE
SCHEMBL6764113 0.92 ALDH1A1 (0.42) ALDH1A1KMT2A
SCHEMBL6764116 0.92 ALDH1A1 (0.42) ALDH1A1KMT2A
SCHEMBL6757349 0.88 GPR183 (0.42) GPR183CHRNA7MTNR1BNPC1KMT2A
SCHEMBL6757351 0.88 GPR183 (0.42) GPR183CHRNA7MTNR1BNPC1KMT2A
SCHEMBL6761603 0.87 GPR183 (0.42) GPR183CHRNA7MTNR1BNPC1KMT2A
SCHEMBL6761601 0.87 GPR183 (0.42) GPR183CHRNA7MTNR1BNPC1KMT2A
SCHEMBL6759793 0.86 GPR183 (0.45) ALDH1A1GPR183CHRNA7MTNR1BNPC1

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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 ALDH1A1 1229/4885PARP1 3384/4885MAPK1 889/4885

“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.