SCHEMBL6764437

SCHEMBL6764437

COc1cc2c(cc1OC)[C@]1(CC[C@@H](C(=O)OCc3ccccc3)CC1)NCC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
MTNR1B P49286 2/20 0.38
GPR183 P32249 1/20 0.38
TSHR P16473 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6764439 1.00 NPC1 (0.40) NPC1PKMRAB9ACA1CA2
SCHEMBL6760803 0.90 MEN1 (0.41) TSHRNR1H2NR1H3HPGD
SCHEMBL6760804 0.90 MEN1 (0.41) TSHRNR1H2NR1H3HPGD
SCHEMBL6757323 0.82 PKM (0.38) PKMTSHRHPGD
SCHEMBL6757328 0.82 PKM (0.38) PKMTSHRHPGD
SCHEMBL6759793 0.81 GPR183 (0.45) NPC1RAB9AMTNR1BGPR183
SCHEMBL6759789 0.81 GPR183 (0.45) NPC1RAB9AMTNR1BGPR183
SCHEMBL6759749 0.77 NPC1 (0.45) NPC1RAB9AMTNR1BGPR183
SCHEMBL6757351 0.76 GPR183 (0.42) NPC1RAB9AMTNR1BGPR183
SCHEMBL6757349 0.76 GPR183 (0.42) NPC1RAB9AMTNR1BGPR183

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 566/4885PKM 204/4885RAB9A 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.