SCHEMBL592802

SCHEMBL592802

O=C1N=C(NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.54
OPRL1 P41146 4/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
GAA P10253 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL593038 0.94 BACE1 (0.48) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL592532 0.92 BACE1 (0.48) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL592544 0.92 OPRL1 (0.48) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL593555 0.91 BACE1 (0.46) BACE1GAAMAPK1BCHEACHE
SCHEMBL593863 0.91 BACE1 (0.46) BACE1MAPK1SMN1; SMN2TSHRACHE
SCHEMBL593161 0.91 BACE1 (0.59) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL592330 0.90 BACE1 (0.45) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL592391 0.90 BACE1 (0.50) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL593760 0.90 BACE1 (0.44) BACE1GAAHRH3MAPK1HTT
SCHEMBL593635 0.89 SIGMAR1 (0.46) BACE1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804794-B1 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
EP-1804794-B1 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
WO-2006044497-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER’S DISEASE MERCK & CO., INC. (US) 2006-04-27 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-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease BACE1, BACE2, APP BACE1 1/4885OPRL1 1765/4885OPRM1 4346/4885

“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.