SCHEMBL594013

SCHEMBL594013

CC(C)Oc1cccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cc(F)ccc2-c2cccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
BACE1 P56817 3/20 0.38
ACKR3 P25106 3/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MCHR1 Q99705 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.35
KAT2B Q92831 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL593626 0.90 KAT2B (0.38) BACE1ALDH1A1MCHR1KCNH2KAT2B
SCHEMBL5478973 0.90 KCNH2 (0.38) FAAHBACE1ACKR3MCHR1KCNH2
SCHEMBL593705 0.88 BACE1 (0.36) FAAHBACE1ACKR3MCHR1KCNH2
SCHEMBL593859 0.88 BACE1 (0.35) FAAHBACE1ACKR3ALDH1A1MCHR1
SCHEMBL592322 0.87 PRKAA2 (0.35) FAAHBACE1ACKR3MCHR1KCNH2
SCHEMBL594333 0.87 FAAH (0.35) FAAHBACE1MCHR1KCNH2KAT2B
SCHEMBL10183012 0.87 BACE1 (0.34) FAAHBACE1ACKR3MCHR1KCNH2
SCHEMBL593414 0.87 POLB (0.34) FAAHBACE1ACKR3ALDH1A1MCHR1
SCHEMBL592223 0.87 KCNH2 (0.37) BACE1ACKR3MCHR1KCNH2KAT2B
SCHEMBL593222 0.86 JAK2 (0.34) FAAHBACE1ACKR3MCHR1KCNH2

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-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
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

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 722/4885BACE1 1/4885ACKR3 4389/4885

“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.