SCHEMBL2433335

SCHEMBL2433335

C[C@@H]1C[C@]2(C=CC(=O)N2c2cccc(F)c2)CCN1Cc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.43
HTR1D P28221 3/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 2/20 0.39
PLA2G2A P14555 2/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 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
SCHEMBL2439264 0.84 DRD2 (0.44) BACE1SLC6A4
SCHEMBL2435034 0.84 BACE1 (0.41) BACE1KDM4EMAPTKMT2A
SCHEMBL2434126 0.82 BACE1 (0.40) BACE1KDM4EMAPTKMT2A
SCHEMBL2436185 0.80 BACE1 (0.47) BACE1
SCHEMBL2433619 0.80 BACE1 (0.39) BACE1
SCHEMBL2438161 0.80 BACE1 (0.51) BACE1
SCHEMBL2433919 0.80 BACE1 (0.62) BACE1
SCHEMBL2435756 0.79 BACE1 (0.63) BACE1
SCHEMBL2439284 0.78 BACE1 (0.61) BACE1
SCHEMBL2435070 0.77 BACE1 (0.47) BACE1

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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B BACE1 1/4885HTR1D 2771/4885TRPM8 4459/4885

“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.