SCHEMBL593222

SCHEMBL593222

CC(C)Oc1cccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cc(F)ccc2-c2ccc(S(=O)(=O)N(C)C)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
BACE1 P56817 3/20 0.34
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
PRKAA2 P54646 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
KAT2B Q92831 1/20 0.33
FAAH O00519 1/20 0.32
ACKR3 P25106 2/20 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
Trifluoroacetic Acid SCHEMBL3479657 0.96 GPR6 (0.34) JAK2JAK1AXLMERTKBACE1
SCHEMBL592322 0.93 PRKAA2 (0.35) BACE1MMP1MMP9MMP13ADAM17
SCHEMBL594222 0.93 MLNR (0.35) JAK2JAK1AXLMERTKMMP1
SCHEMBL594333 0.93 FAAH (0.35) JAK2BACE1MMP1MMP9MMP13
SCHEMBL593414 0.92 POLB (0.34) BACE1SCN1ASCN8AMMP1MMP9
SCHEMBL13031014 0.92 BACE1 (0.36) BACE1SCN1ASCN8AKCNH2MCHR1
SCHEMBL593704 0.92 ALDH1A1 (0.39) BACE1KCNH2FAAH
SCHEMBL592547 0.91 JAK2 (0.36) JAK2JAK1AXLMERTKSCN1A
SCHEMBL5478973 0.90 KCNH2 (0.38) BACE1KCNH2MCHR1KAT2BFAAH
SCHEMBL13031022 0.90 BACE1 (0.39) JAK2JAK1AXLMERTKBACE1

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 11 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 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
EP-1804794-A2 SPIROPIPERIDINE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHERMER S DISEASE Merck & Co., Inc. (US) 2007-07-11 EP 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
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 (2 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 JAK2 4818/4885JAK1 4835/4885AXL 4095/4885
US-20070197571-A1 Spiropiperidine compounds useful as beta-secretase inhibitors for the treatment of alzheimer' s disease BACE1, BACE2, APP JAK2 4838/4885JAK1 4858/4885AXL 4533/4885

“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.