SCHEMBL4697552

SCHEMBL4697552

N#Cc1cccc(N2CC3CC2CO3)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.44
DRD2 P14416 3/20 0.42
DRD3 P35462 2/20 0.42
PIK3CD O00329 1/20 0.41
NOTUM Q6P988 2/20 0.40
FADS1 O60427 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
NSD2 O96028 1/20 0.38
PRKDC P78527 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAP3K12 Q12852 1/20 0.37
GRM2 Q14416 1/20 0.37
ALOX5 P09917 1/20 0.36

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 0.77 PRKDC (0.45) SOS1PRKDCMAP3K12
SCHEMBL7952074 0.73 PIK3CD (0.49) DRD2DRD3PIK3CDNOTUMFADS1
SCHEMBL12461087 0.73 PIK3CD (0.54) DRD2DRD3PIK3CDNOTUMNSD2
SCHEMBL11993864 0.73 CHRNB2 (0.67) DRD2DRD3CHRNB2CHRNA4
SCHEMBL4701386 0.73 BACE1 (0.44) SOS1PRKDCMAP3K12
Hydrochloric Acid SCHEMBL1368966 0.72 CHRNB2 (0.66) DRD2DRD3CHRNB2CHRNA4
SCHEMBL20448663 0.71 MAP3K12 (0.39) SOS1PRKDCMAP3K12
SCHEMBL3288576 0.70 PDE10A (0.45) SOS1DRD2MAP3K12
SCHEMBL1366089 0.69 NOTUM (0.48) DRD2DRD3PIK3CDNOTUMNSD2
SCHEMBL21256815 0.68 SOS1 (0.39) SOS1PRKDCMAP3K12

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 5 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
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 SOS1 3877/4885DRD2 4859/4885DRD3 4828/4885

“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.