SCHEMBL6337457

SCHEMBL6337457

CC1CCN(C)c2ccc(CC(C)(C)C)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.45
BACE1 P56817 1/20 0.45
HSD11B1 P28845 1/20 0.33
ESR1 P03372 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
NR1I2 O75469 1/20 0.31
RORC P51449 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
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

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
SCHEMBL5714186 0.84 CTSD (0.44) CTSDBACE1HSD11B1ESR1SIGMAR1
SCHEMBL13525467 0.84 CTSD (0.46) CTSDBACE1HSD11B1ESR1MEN1
SCHEMBL8119522 0.84 CTSD (0.44) CTSDBACE1HSD11B1ESR1MEN1
SCHEMBL8402537 0.83 AR (0.44) CTSDBACE1HSD11B1ESR1
SCHEMBL13525468 0.78 CTSD (0.40) CTSDBACE1
SCHEMBL6176211 0.74 ALDH1A1 (0.53) NR1I2RORCNR1H2NR1H3MEN1
SCHEMBL13233322 0.72 PDE10A (0.43) CTSDBACE1ESR1MEN1ALDH1A1
SCHEMBL5714603 0.72 ESR1 (0.33) CTSDBACE1HSD11B1ESR1
SCHEMBL8128562 0.71 CTSD (0.34) CTSDBACE1MEN1ALDH1A1GAA
SCHEMBL5714602 0.70 ESR1 (0.34) CTSDBACE1HSD11B1ESR1SIGMAR1

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 CTSD 87/4885BACE1 3/4885HSD11B1 2372/4885

“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.