SCHEMBL3492837

SCHEMBL3492837

CC#CCN1CC[C@@]2(C[C@@H]1C)C(N1CCC1c1ccccc1)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.36
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL3492834 1.00 BACE1 (0.36) BACE1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3494430 0.95 BACE1 (0.35) BACE1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3494426 0.95 BACE1 (0.35) BACE1OPRM1OPRD1OPRK1OPRL1
SCHEMBL13461608 0.90 BACE1 (0.38) BACE1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3494486 0.87 BACE1 (0.34) BACE1
SCHEMBL3494484 0.87 BACE1 (0.34) BACE1
SCHEMBL3493353 0.87 BACE1 (0.38) BACE1
SCHEMBL3492093 0.87 BACE1 (0.35) BACE1
SCHEMBL3492097 0.87 BACE1 (0.35) BACE1
SCHEMBL3493732 0.86 PIK3C3 (0.33) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293759-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2012-10-23 US claimed
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
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
US-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-03-18 US disclosed
US-20100069419-A1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-03-18 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 (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 1/4885OPRM1 4499/4885OPRD1 1639/4885

“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.