SCHEMBL6407953

SCHEMBL6407953

O=C1CCCc2c(O)cccc2N1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CRBN Q96SW2 4/20 0.41
PARP1 P09874 1/20 0.41
KIF11 P52732 1/20 0.38
BRD4 O60885 1/20 0.36
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
CREBBP Q92793 1/20 0.36
DDB1 Q16531 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL29863302 0.89 NPC1 (0.50) MAPTBCL2L1BADNPC1MAPK13
SCHEMBL98299 0.89 NPC1 (0.50) MAPTBCL2L1BADNPC1MAPK13
SCHEMBL8523665 0.80 MAPT (0.55) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL3340538 0.79 AHR (0.48) CRBNPARP1AHRPDK2
SCHEMBL30463280 0.79 AHR (0.48) CRBNPARP1AHRPDK2
SCHEMBL427457 0.79 MAPT (0.53) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL2408663 0.79 MAPT (0.53) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL20777507 0.78 BCL2L1 (0.45) BCL2L1BADPARP1
SCHEMBL20597191 0.77 CREBBP (0.38) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL22368762 0.75 MAPT (0.49) MAPTNPC1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
US-4340595-A ADRENERGIC BLOCKING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
US-4340595-A ADRENERGIC BLOCKING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
EP-0011747-B1 AMINOPROPANOL DERIVATIVES OF 6-HYDROXY-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1982-05-19 EP disclosed
EP-0011747-B1 AMINOPROPANOL DERIVATIVES OF 6-HYDROXY-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1982-05-19 EP disclosed
EP-0011747-A1 Aminopropanol derivatives of 6-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ones, process for their preparation, and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1980-06-11 EP disclosed
EP-0011747-A1 Aminopropanol derivatives of 6-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ones, process for their preparation, and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1980-06-11 EP 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-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX MAPT 2956/4885BCL2L1 10/4885BAD 2/4885

“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.