SCHEMBL4822657

SCHEMBL4822657

Nc1ccc(N2CCOCC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.56
LGMN Q99538 3/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 5/20 0.53
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
NCF1 P14598 2/20 0.53
KDM4E B2RXH2 5/20 0.50
GLA P06280 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 3/20 0.47

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
SCHEMBL10105292 0.83 KEAP1 (0.57) CTSBALDH1A1GAAMAPTL3MBTL1
SCHEMBL29509033 0.79 ADRA2C (0.62) ALDH1A1GAAMAPTL3MBTL1POLB
SCHEMBL29551803 0.79 HTR6 (0.65) CTSBALDH1A1GAAMAPTMEN1
SCHEMBL3622302 0.79 HTR6 (0.65) ALDH1A1NCF1KDM4EHPGDHSD17B10
SCHEMBL15537470 0.79 HTR6 (0.65) CTSBALDH1A1GAAMAPTMEN1
SCHEMBL18077915 0.79 CTSB (0.56) CTSBALDH1A1GAAMAPTL3MBTL1
SCHEMBL30824991 0.79 CTSB (0.56) CTSBALDH1A1GAAMAPTMEN1
SCHEMBL3623865 0.79 ADRA2C (0.62) ALDH1A1GAAMAPTL3MBTL1POLB
SCHEMBL16852475 0.79 CTSB (0.56) CTSBALDH1A1GAAMAPTL3MBTL1
SCHEMBL20436318 0.78 GAA (0.50) CTSBLGMNALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
US-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
US-7375101-B2 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2008-05-20 US disclosed
US-20050176699-A1 Benzodiazepine derivatives, preparation thereof and use thereof ASTRAZENECA AB (SE) 2005-08-11 US disclosed
EP-1458691-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051275-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF ASTRAZENECA AB (SE) 2003-06-26 WO disclosed
WO-2003051274-A2 BENZODIAZEPINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF ASTRAZENECA AB (SE) 2003-06-26 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-20050176699-A1 Benzodiazepine derivatives, preparation thereof and use thereof GABRA1, GABRA3, GABRA4 CTSB 4346/4885LGMN 4826/4885ALDH1A1 794/4885

“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.