SCHEMBL13435143

SCHEMBL13435143

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.39
OPRL1 P41146 3/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRM1 P35372 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL765892 0.87 BACE1 (0.37) BACE1OPRL1OPRK1OPRM1BACE2
SCHEMBL3892756 0.84 BACE1 (0.37) BACE1OPRL1OPRD1OPRK1OPRM1
SCHEMBL3491947 0.84 BACE1 (0.37) BACE1OPRL1OPRD1OPRK1OPRM1
SCHEMBL3494036 0.83 BACE1 (0.40) BACE1OPRL1OPRD1OPRK1OPRM1
SCHEMBL3494038 0.83 BACE1 (0.40) BACE1OPRL1OPRD1OPRK1OPRM1
SCHEMBL3494202 0.83 BACE1 (0.34) BACE1OPRL1OPRM1BACE2
SCHEMBL13359099 0.82 OPRM1 (0.37) BACE1OPRL1OPRK1OPRM1BACE2
SCHEMBL3493505 0.82 BACE1 (0.38) BACE1HRH3
SCHEMBL764691 0.81 ADORA3 (0.40) BACE1OPRL1OPRD1OPRK1OPRM1
SCHEMBL760030 0.80 BACE1 (0.34) BACE1OPRL1OPRD1OPRM1BACE2

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 4 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 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
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 1/4885OPRL1 2101/4885OPRD1 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.