SCHEMBL6330755

SCHEMBL6330755

CCc1ccc2c(c1)[C@@H](N)CCC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.50
DRD2 P14416 2/20 0.40
DRD1 P21728 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
OPRD1 P41143 3/20 0.38
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL8281689 1.00 ACHE (0.50) ACHEDRD2DRD1CTSDBACE1
Hydrochloric Acid SCHEMBL3171185 0.98 ACHE (0.49) ACHEDRD2DRD1CTSDBACE1
SCHEMBL21065657 0.90 ACHE (0.48) ACHEDRD2DRD1HTR1AHTR2A
SCHEMBL18616366 0.87 OPRD1 (0.47) ACHEOPRD1
SCHEMBL16543141 0.87 OPRD1 (0.47) ACHEOPRD1
SCHEMBL16543139 0.87 OPRD1 (0.47) ACHEOPRD1
SCHEMBL8278065 0.83 ACHE (0.45) ACHEDRD2CTSDBACE1OPRD1
SCHEMBL5713887 0.83 ACHE (0.45) ACHEDRD2CTSDBACE1OPRD1
SCHEMBL5713886 0.81 DRD2 (0.41) DRD2DRD1CTSDBACE1HTR1A
SCHEMBL3170918 0.80 DRD2 (0.43) ACHEDRD2DRD1CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249139-A1 Benzamide 2-hydroxy-3-diaminoalkanes ELAN PHARMACEUTICALS, INC. 2008-10-09 US disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US 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 (2 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-20080249139-A1 Benzamide 2-hydroxy-3-diaminoalkanes BACE2, BACE1, APP ACHE 45/4885DRD2 3852/4885DRD1 3686/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 ACHE 965/4885DRD2 4885/4885DRD1 4863/4885

“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.