SCHEMBL14754589

SCHEMBL14754589

COCCN1CC(CN2CCO[C@@H](O[C@H]3CC[C@]45CC46CC[C@]4(C)[C@@H]([C@H](C)CC[C@H](OC(C)=O)C(C)(C)O)C(OC)[C@H](O)[C@@]4(C)C6CC[C@H]5C3(C)C)C2)C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 18/20 0.59
▸ CYP3A4 P08684 13/20 0.59
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 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
SCHEMBL14755346 0.81 APP (0.57) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14753446 0.81 APP (0.85) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14751736 0.81 APP (0.85) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14773087 0.81 APP (0.85) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14754569 0.81 APP (0.85) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14773101 0.81 APP (0.85) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14755345 0.78 APP (0.53) APPCYP3A4PSEN1PSEN2APH1B
SCHEMBL14768533 0.78 APP (0.62) APPCYP3A4
SCHEMBL14768531 0.78 APP (0.62) APPCYP3A4
SCHEMBL14754587 0.76 APP (0.74) APPCYP3A4

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-20130060019-A1 Compounds for Use in Treating Neurodegenerative Disorders, Synthesis Thereof, and Intermediates Thereto SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 — — 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-20130060019-A1 Compounds for Use in Treating Neurodegenerative Disorders, Synthesis Thereof, and Intermediates Thereto SNCA, HTT, PARK7 APP 15/4885CYP3A4 1228/4885PSEN1 16/4885

“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.

Send feedback