SCHEMBL593165

SCHEMBL593165

CCS(=O)(=O)c1ccc(-c2ccc(F)cc2N2C(=O)N=C(NC3CCOCC3)C23CCN(Cc2cccc(OC(C)C)c2)CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.35
MMP9 P14780 4/20 0.35
MMP13 P45452 4/20 0.35
ADAM17 P78536 4/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
SSTR5 P35346 2/20 0.34
HRH1 P35367 1/20 0.34
PRKAA2 P54646 1/20 0.34
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CDK9 P50750 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
BACE1 P56817 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL592650 0.96 PRKAA2 (0.36) MMP1MMP9MMP13ADAM17KCNH2
SCHEMBL592322 0.94 PRKAA2 (0.35) MMP1MMP9MMP13ADAM17KCNH2
SCHEMBL594333 0.89 FAAH (0.35) MMP1MMP9MMP13ADAM17KCNH2
SCHEMBL593376 0.89 MMP1 (0.36) MMP1MMP9MMP13ADAM17PRKAA2
SCHEMBL593414 0.87 POLB (0.34) MMP1MMP9MMP13ADAM17KCNH2
SCHEMBL593704 0.87 ALDH1A1 (0.39) LMNASMN1; SMN2KCNH2SSTR5FAAH
SCHEMBL593222 0.87 JAK2 (0.34) MMP1MMP9MMP13ADAM17KCNH2
SCHEMBL8268428 0.85 ROCK2 (0.34) KCNH2MCHR1FAAHBACE1
SCHEMBL5478973 0.85 KCNH2 (0.38) KCNH2MCHR1FAAHBACE1
SCHEMBL8268413 0.84 FAAH (0.34) MMP1MMP9MMP13ADAM17KCNH2

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 MMP1 967/4885MMP9 522/4885MMP13 2412/4885

“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.