SCHEMBL13435142

SCHEMBL13435142

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.37
OPRL1 P41146 1/20 0.37
EEF2K O00418 1/20 0.37
BACE1 P56817 5/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
OPRD1 P41143 6/20 0.33
OPRK1 P41145 5/20 0.33
HPGDS O60760 2/20 0.33
HTR2A P28223 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
SCHEMBL3491947 0.89 BACE1 (0.37) OPRM1OPRL1BACE1BACE2OPRD1
SCHEMBL3892756 0.89 BACE1 (0.37) OPRM1OPRL1BACE1BACE2OPRD1
SCHEMBL3492314 0.84 HPGDS (0.34) EEF2KBACE1BACE2HPGDS
SCHEMBL3887599 0.84 HPGDS (0.34) EEF2KBACE1BACE2HPGDS
SCHEMBL13359099 0.82 OPRM1 (0.37) OPRM1OPRL1BACE1BACE2OPRK1
SCHEMBL764691 0.82 ADORA3 (0.40) OPRM1OPRL1BACE1BACE2OPRD1
SCHEMBL760030 0.81 BACE1 (0.34) OPRM1OPRL1BACE1BACE2OPRD1
SCHEMBL755429 0.81 BACE1 (0.34) OPRM1OPRL1BACE1BACE2OPRD1
SCHEMBL755862 0.81 BACE1 (0.34) OPRM1OPRL1BACE1BACE2OPRD1
SCHEMBL10293318 0.81 BACE1 (0.34) OPRM1OPRL1BACE1BACE2OPRD1

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 5 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
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 OPRM1 4499/4885OPRL1 2101/4885EEF2K 2997/4885

“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.