SCHEMBL175480

SCHEMBL175480

CCn1cc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
BACE1 P56817 5/20 0.47
CTSD P07339 3/20 0.47
BACE2 Q9Y5Z0 3/20 0.47
MAPT P10636 1/20 0.45
ACHE P22303 1/20 0.45
BCHE P06276 2/20 0.43
CSNK1E P49674 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
F2 P00734 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SLC6A11 P48066 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
Hydrochloric Acid SCHEMBL5219543 0.99 LMNA (0.47) LMNABACE1CTSDBACE2MAPT
SCHEMBL5218712 0.86 OPRM1 (0.47) BACE1CTSDBACE2BCHECSNK1E
SCHEMBL4688946 0.85 BCHE (0.40) LMNABACE1CTSDBACE2BCHE
SCHEMBL7951036 0.79 BCHE (0.61) LMNABACE1BCHECSNK1EALDH1A1
SCHEMBL496172 0.79 BCHE (0.61) LMNABACE1BCHECSNK1EALDH1A1
SCHEMBL3353939 0.79 BCHE (0.61) LMNABACE1BCHECSNK1EALDH1A1
SCHEMBL2605624 0.79 BCHE (0.61) LMNABACE1BCHECSNK1EALDH1A1
SCHEMBL717679 0.79 ATM (0.53) BACE1CTSDBACE2BCHESLC6A11
SCHEMBL717681 0.79 ATM (0.53) BACE1CTSDBACE2BCHESLC6A11
SCHEMBL256558 0.79 LMNA (0.52) LMNABACE1CTSDBACE2MAPT

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-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 LMNA 3491/4885BACE1 2/4885CTSD 138/4885

“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.