SCHEMBL3493674

SCHEMBL3493674

CC#CCN1CC[C@@]2(C[C@@H]1C)C(N1CCC(CF)C1)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.36
BACE1 P56817 8/20 0.33
MMP13 P45452 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30

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
SCHEMBL3493671 1.00 BPTF (0.36) BPTFBACE1MMP13ADAMTS5
SCHEMBL8205688 0.92 BPTF (0.35) BPTFBACE1
SCHEMBL3494776 0.91 BACE1 (0.34) BPTFBACE1MMP13ADAMTS5
SCHEMBL3494781 0.91 BACE1 (0.34) BPTFBACE1MMP13ADAMTS5
SCHEMBL3495716 0.91 BACE1 (0.37) BPTFBACE1
SCHEMBL3495713 0.91 BACE1 (0.37) BPTFBACE1
SCHEMBL16502188 0.90 BACE1 (0.33) BPTFBACE1
SCHEMBL8202400 0.90 BPTF (0.39) BPTFBACE1MMP13ADAMTS5
SCHEMBL3492093 0.89 BACE1 (0.35) BPTFBACE1
SCHEMBL3495688 0.89 BACE1 (0.32) BPTFBACE1

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
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
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 BPTF 2226/4885BACE1 1/4885MMP13 2250/4885

“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.