SCHEMBL5713754

SCHEMBL5713754

Brc1ccc2c(c1)[CH]CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.37
ASIC3 Q9UHC3 1/20 0.37
TRPA1 O75762 1/20 0.35
PARP10 Q53GL7 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 1/20 0.34
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
KDM1A O60341 1/20 0.33
TYMS P04818 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
METAP1 P53582 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL28441336 0.87 PNMT (0.39) PNMTASIC3TRPA1PARP10TDP1
SCHEMBL7574900 0.83 PNMT (0.37) PNMTASIC3PARP10TDP1L3MBTL1
SCHEMBL2114917 0.80 PNMT (0.35) PNMTASIC3TRPA1PARP10TDP1
SCHEMBL17288542 0.75 ALDH1A1 (0.39) PARP10L3MBTL1PARP1TYMSMETAP1
SCHEMBL1451509 0.75 MAOA (0.40) CA2
SCHEMBL23174867 0.75 CA9 (0.35) L3MBTL1TYMSCA12CA2CA9
SCHEMBL3540396 0.75 KDM1A (0.39) PARP10PARP1KDM1ATYMSHTR2A
SCHEMBL29634842 0.71 PNMT (0.37) PNMTASIC3TRPA1PARP10TDP1
SCHEMBL2113127 0.71 PNMT (0.37) PNMTASIC3TRPA1PARP10TDP1
SCHEMBL17288417 0.71 PNMT (0.43) PNMTTRPA1KDM1ACA12CA9

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 PNMT 2033/4885ASIC3 4007/4885TRPA1 4750/4885

“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.