SCHEMBL3479526

SCHEMBL3479526

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.39
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
NR1H2 P55055 1/20 0.36
FAAH O00519 1/20 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
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
BRS3 P32247 1/20 0.34

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
SCHEMBL3479399 0.92 BACE1 (0.41) BACE1FAAHMMP1MMP9MMP13
SCHEMBL3479457 0.90 BACE1 (0.39) BACE1JAK2JAK1NR1H2FAAH
SCHEMBL3479554 0.88 JAK2 (0.37) BACE1JAK2JAK1NR1H2MMP1
Trifluoroacetic Acid SCHEMBL3479514 0.87 BACE1 (0.38) BACE1FAAHMMP1MMP9MMP13
SCHEMBL13031015 0.87 JAK2 (0.36) BACE1JAK2JAK1NR1H2MMP1
SCHEMBL3479696 0.86 BACE1 (0.37) BACE1JAK2JAK1NR1H2MMP1
Trifluoroacetic Acid SCHEMBL3479655 0.86 BACE1 (0.36) BACE1JAK2JAK1NR1H2FAAH
SCHEMBL3479470 0.86 JAK2 (0.35) BACE1JAK2JAK1NR1H2MMP1
Trifluoroacetic Acid SCHEMBL3479427 0.84 NR1H2 (0.35) BACE1JAK2JAK1NR1H2FAAH
SCHEMBL592547 0.84 JAK2 (0.36) JAK2JAK1NR1H2MMP1MMP9

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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US claimed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 BACE1 1/4885JAK2 4818/4885JAK1 4835/4885

“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.