SCHEMBL6337453

SCHEMBL6337453

C[C]1CCN(C)c2ccc(CC(C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNA7 P36544 1/20 0.30

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
SCHEMBL13316059 0.84 HSD11B1 (0.36) ESR1CTSDBACE1HSD11B1MEN1
SCHEMBL13233322 0.80 PDE10A (0.43) ESR1CTSDBACE1MEN1ALDH1A1
SCHEMBL8276291 0.74 ALDH1A1 (0.55) ESR1MEN1ALDH1A1GAAMAPT
SCHEMBL5714602 0.71 ESR1 (0.34) ESR1CTSDBACE1HSD11B1
SCHEMBL5713737 0.70 MAOA (0.37) ESR1CTSDBACE1MEN1KMT2A
SCHEMBL19225688 0.70 PDE10A (0.47) ALDH1A1
SCHEMBL5714603 0.70 ESR1 (0.33) ESR1CTSDBACE1HSD11B1
SCHEMBL6337457 0.69 CTSD (0.45) ESR1CTSDBACE1HSD11B1MEN1
SCHEMBL19225665 0.68 PKM (0.41) KMT2A
SCHEMBL8119522 0.68 CTSD (0.44) ESR1CTSDBACE1HSD11B1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 ESR1 4782/4885CTSD 87/4885BACE1 3/4885

“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.