SCHEMBL593104

SCHEMBL593104

CC(C)Oc1cccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2ccccc2-c2ccc(C(N)S(C)(=O)=O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.33
MLNR O43193 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
SSTR5 P35346 1/20 0.33
BACE1 P56817 1/20 0.32
JAK1 P23458 1/20 0.32
KAT2B Q92831 1/20 0.32
ACKR3 P25106 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
SCHEMBL8268115 0.90 MLNR (0.37) FAAHMLNRHTR1ADRD2ADRA1D
SCHEMBL593105 0.89 FAAH (0.35) FAAHMLNRHTR1ADRD2ADRA1D
SCHEMBL594222 0.88 MLNR (0.35) FAAHMLNRHTR1ADRD2ADRA1D
SCHEMBL593208 0.88 CCR5 (0.39) HTR1ADRD2ADRA1DHTR1BADRA1A
SCHEMBL593096 0.87 MLNR (0.36) FAAHMLNRHTR1ADRD2ADRA1D
SCHEMBL594223 0.86 HTR1A (0.37) FAAHMLNRHTR1ADRD2ADRA1D
SCHEMBL593551 0.86 CCR5 (0.41) ACKR3
SCHEMBL593094 0.86 CXCR3 (0.38) FAAHDRD2KAT2BACKR3
SCHEMBL594391 0.84 OPRL1 (0.39) FAAHBACE1ACKR3
SCHEMBL593097 0.83 MAP3K11 (0.38) FAAHMLNRSSTR5BACE1JAK1

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 4 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-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 722/4885MLNR 4114/4885HTR1A 1780/4885

“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.