SCHEMBL5713764

SCHEMBL5713764

CC(C)(C)c1ccc2c(c1)[C]CCN2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
ADRA1D P25100 2/20 0.34
HTR1B P28222 2/20 0.34
ADRA1B P35368 2/20 0.34
ALDH1A1 P00352 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.31
KIF11 P52732 8/20 0.31
TRPV1 Q8NER1 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL15829267 0.74 KMT2A (0.44) HTR1DADRA1AADRA2AADRA2BADRA2C
SCHEMBL5713696 0.72 GAA (0.34) ALDH1A1NISCHHPGDKIF11GAA
SCHEMBL24648980 0.71 AR (0.40) KIF11
SCHEMBL10100725 0.69 DRD2 (0.53) HTR1DADRA1AADRA2AADRA2BADRA2C
SCHEMBL15828678 0.67 ALDH1A1 (0.50) HTR1DADRA1AADRA2AADRA2BADRA2C
SCHEMBL761229 0.67 GAA (0.53) HTR1DHTR1BALDH1A1ALOX15HSD17B10
SCHEMBL5713760 0.67 HTR1D (0.35) HTR1DADRA1AADRA2AADRA2BADRA2C
SCHEMBL10165778 0.66 ALDH1A1 (0.40) HTR1DADRA1AADRA2AADRA2BADRA2C
SCHEMBL8863075 0.66 KIF11 (0.37) HTR1DADRA1AADRA2AADRA2BADRA2C
SCHEMBL1450324 0.66 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1

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-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 HTR1D 4598/4885ADRA1A 3350/4885ADRA2A 3230/4885

“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.