SCHEMBL594333

SCHEMBL594333

CC(C)Oc1cccc(CN2CCC3(CC2)C(NC2CCCC2)=NC(=O)N3c2cc(F)ccc2-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
CCR5 P51681 3/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
PRKAA2 P54646 3/20 0.34
BACE1 P56817 2/20 0.34
KAT2B Q92831 1/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
PTK2 Q05397 2/20 0.34
PTGS2 P35354 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
SCHEMBL592322 0.94 PRKAA2 (0.35) FAAHMMP1MMP9MMP13ADAM17
SCHEMBL593414 0.93 POLB (0.34) FAAHMMP1MMP9MMP13ADAM17
SCHEMBL593222 0.93 JAK2 (0.34) FAAHMMP1MMP9MMP13ADAM17
SCHEMBL593704 0.93 ALDH1A1 (0.39) FAAHKCNH2BACE1
SCHEMBL592650 0.92 PRKAA2 (0.36) FAAHMMP1MMP9MMP13ADAM17
SCHEMBL5478973 0.91 KCNH2 (0.38) FAAHKCNH2MCHR1BACE1KAT2B
SCHEMBL8268428 0.90 ROCK2 (0.34) FAAHCCR5KCNH2MCHR1BACE1
Trifluoroacetic Acid SCHEMBL3479657 0.89 GPR6 (0.34) FAAHMMP1MMP9MMP13ADAM17
SCHEMBL593165 0.89 MMP1 (0.35) FAAHMMP1MMP9MMP13ADAM17
SCHEMBL593859 0.89 BACE1 (0.35) FAAHKCNH2MCHR1BACE1KAT2B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US claimed
EP-1804794-B1 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
EP-1804794-B1 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-8114887-B2 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-02-14 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
WO-2006044497-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER’S DISEASE MERCK & CO., INC. (US) 2006-04-27 WO 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-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease BACE1, BACE2, APP FAAH 722/4885MMP1 967/4885MMP9 522/4885

“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.