SCHEMBL3494038

SCHEMBL3494038

C[C@H]1C[C@]2(CCN1CC1CCC1)C(c1ccccc1)=CC(=O)N2c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.40
OPRK1 P41145 4/20 0.34
OPRL1 P41146 4/20 0.34
OPRM1 P35372 4/20 0.34
OPRD1 P41143 3/20 0.34
BACE2 Q9Y5Z0 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL3494036 1.00 BACE1 (0.40) BACE1OPRK1OPRL1OPRM1OPRD1
SCHEMBL13435143 0.83 BACE1 (0.39) BACE1OPRK1OPRL1OPRM1OPRD1
SCHEMBL3886487 0.82 BACE1 (0.35) BACE1OPRL1OPRM1BACE2
SCHEMBL3493289 0.82 OPRM1 (0.32) BACE1OPRK1OPRL1OPRM1OPRD1
SCHEMBL3492106 0.81 BACE1 (0.38) BACE1BACE2
SCHEMBL3492102 0.81 BACE1 (0.38) BACE1BACE2
SCHEMBL765892 0.79 BACE1 (0.37) BACE1OPRK1OPRL1OPRM1BACE2
SCHEMBL3493024 0.78 ALDH1A1 (0.35) BACE1OPRK1OPRL1OPRM1OPRD1
SCHEMBL3493026 0.78 ALDH1A1 (0.35) BACE1OPRK1OPRL1OPRM1OPRD1
SCHEMBL3491947 0.76 BACE1 (0.37) BACE1OPRK1OPRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091328-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP claimed
US-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-03-18 US claimed
US-8293759-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2012-10-23 US disclosed
EP-2091328-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP disclosed
EP-2091328-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 EP disclosed
US-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-03-18 US disclosed
WO-2008054698-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-05-08 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-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP BACE1 1/4885OPRK1 3116/4885OPRL1 2101/4885

“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.