SCHEMBL3479574

SCHEMBL3479574

Cc1ccccc1-c1cccc(CN2CCC3(CC2)CNC(=O)N3c2cccc(F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.63
PLD2 O14939 1/20 0.49
PLD1 Q13393 1/20 0.49
HSD11B1 P28845 1/20 0.40
DOCK5 Q9H7D0 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH3A1 P30838 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.38
ACHE P22303 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3479520 0.84 BACE1 (0.73) BACE1HSD11B1DOCK5DRD2DRD4
SCHEMBL3479519 0.84 BACE1 (0.73) BACE1HSD11B1DOCK5DRD2DRD4
SCHEMBL3479633 0.80 BACE1 (0.54) BACE1HSD11B1DOCK5DRD2DRD4
SCHEMBL593631 0.80 BACE1 (0.61) BACE1HSD11B1DOCK5DRD2DRD4
SCHEMBL25916122 0.79 BACE1 (0.64) BACE1HSD11B1DOCK5DRD2DRD4
Trifluoroacetic Acid SCHEMBL3479467 0.79 BACE1 (0.66) BACE1HSD11B1DRD2DRD3BACE2
SCHEMBL7845062 0.77 OPRK1 (0.47) BACE1PLD2PLD1DRD2DRD4
SCHEMBL593730 0.76 BACE1 (0.66) BACE1HSD11B1DOCK5ALDH1A1BACE2
SCHEMBL12293372 0.75 BACE1 (0.57) BACE1
Hydrochloric Acid SCHEMBL2492580 0.74 BACE1 (0.56) BACE1

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
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
EP-2063889-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 WO disclosed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 BACE1 1/4885PLD2 3358/4885PLD1 3040/4885

“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.