SCHEMBL3492097

SCHEMBL3492097

CC#CCN1CC[C@@]2(C[C@@H]1C)C(N1CCC(c3ccccc3)C1)=NC(=O)N2c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.35
NPC1 O15118 2/20 0.31
DPP4 P27487 1/20 0.31
CCR5 P51681 2/20 0.31
KCNQ2 O43526 1/20 0.30
GRM2 Q14416 1/20 0.30
BPTF Q12830 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3492093 1.00 BACE1 (0.35) BACE1NPC1DPP4CCR5KCNQ2
SCHEMBL13461609 0.91 BACE1 (0.37) BACE1NPC1CCR5KCNQ2BPTF
SCHEMBL3494781 0.91 BACE1 (0.34) BACE1BPTF
SCHEMBL3494776 0.91 BACE1 (0.34) BACE1BPTF
SCHEMBL16502188 0.89 BACE1 (0.33) BACE1BPTF
SCHEMBL3495713 0.89 BACE1 (0.37) BACE1DPP4BPTF
SCHEMBL3495716 0.89 BACE1 (0.37) BACE1DPP4BPTF
SCHEMBL3493674 0.89 BPTF (0.36) BACE1BPTF
SCHEMBL3493671 0.89 BPTF (0.36) BACE1BPTF
SCHEMBL3495688 0.88 BACE1 (0.32) BACE1BPTF

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 1/4885NPC1 281/4885DPP4 397/4885

“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.