SCHEMBL6759749

SCHEMBL6759749

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 1/20 0.42
GPR183 P32249 1/20 0.41
MTNR1B P49286 3/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CHRNA7 P36544 2/20 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
SCHEMBL6759696 0.91 SMN1; SMN2 (0.39) ALDH1A1NPSR1KMT2AL3MBTL1
SCHEMBL6761399 0.90 GPR183 (0.42) NPC1ALDH1A1RAB9AKMT2AGPR183
SCHEMBL6761397 0.90 GPR183 (0.42) NPC1ALDH1A1RAB9AKMT2AGPR183
SCHEMBL6759793 0.89 GPR183 (0.45) NPC1ALDH1A1RAB9ALMNAKMT2A
SCHEMBL6759789 0.89 GPR183 (0.45) NPC1ALDH1A1RAB9ALMNAKMT2A
SCHEMBL6757349 0.83 GPR183 (0.42) NPC1RAB9AKMT2AGPR183MTNR1B
SCHEMBL6757351 0.83 GPR183 (0.42) NPC1RAB9AKMT2AGPR183MTNR1B
SCHEMBL6761601 0.82 GPR183 (0.42) NPC1RAB9AKMT2AGPR183MTNR1B
SCHEMBL6761603 0.82 GPR183 (0.42) NPC1RAB9AKMT2AGPR183MTNR1B
SCHEMBL6757233 0.81 MAPT (0.39) NPC1ALDH1A1RAB9ANPSR1KMT2A

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 NPC1 566/4885ALDH1A1 1229/4885RAB9A 1884/4885

“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.