SCHEMBL4701386

SCHEMBL4701386

NC1(c2cccc(N3CC4CC3CO4)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
MAP3K12 Q12852 7/20 0.37
PRKDC P78527 1/20 0.37
SOS1 Q07889 2/20 0.36
IDH1 O75874 5/20 0.35
MTOR P42345 2/20 0.35
PIK3CA P42336 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL18436556 0.75 PRKDC (0.45) MAP3K12PRKDCSOS1MTORPIK3CA
SCHEMBL15399039 0.69 MAP3K12 (0.44) MAP3K12PRKDCSOS1MTORPIK3CA
SCHEMBL15399356 0.69 MAP3K12 (0.44) MAP3K12PRKDCSOS1MTORPIK3CA
SCHEMBL22652055 0.69 SOS1 (0.43) MAP3K12PRKDCSOS1MTORPIK3CA
SCHEMBL2060572 0.68 PTK2 (0.42) MAP3K12PRKDCSOS1IDH1MTOR
SCHEMBL6869554 0.68 PTK2 (0.40) MAP3K12SOS1IDH1MTORPIK3CA
SCHEMBL6869557 0.68 PTK2 (0.40) MAP3K12SOS1IDH1MTORPIK3CA
SCHEMBL23124346 0.68 MAP3K12 (0.41) MAP3K12PRKDCMTORPIK3CA
SCHEMBL20448326 0.68 PRKDC (0.38) BACE1MAP3K12PRKDCSOS1MTOR
SCHEMBL21256819 0.66 SOS1 (0.39) MAP3K12PRKDCSOS1MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO 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-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH BACE1 5/4885MAP3K12 3685/4885PRKDC 1041/4885

“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.