SCHEMBL757429

SCHEMBL757429

COC(=O)c1cccc(CC2CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
CYP4F2 P78329 2/20 0.60
CYP4A11 Q02928 2/20 0.60
PPM1D O15297 2/20 0.55
SLC7A5 Q01650 1/20 0.54
MRGPRX4 Q96LA9 3/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.48
FOLH1 Q04609 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
PTPRB P23467 1/20 0.45

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
SCHEMBL17982797 0.94 LOXL2 (0.56) LOXL2CYP4F2CYP4A11PPM1DSLC7A5
SCHEMBL17595529 0.90 LOXL2 (0.55) LOXL2CYP4F2CYP4A11PPM1DSLC7A5
SCHEMBL7261500 0.90 LOXL2 (0.55) LOXL2CYP4F2CYP4A11PPM1DSLC7A5
SCHEMBL13162660 0.89 LOXL2 (0.54) LOXL2CYP4F2CYP4A11PPM1DSLC7A5
SCHEMBL26857812 0.87 LOXL2 (0.51) LOXL2CYP4F2CYP4A11PPM1DSLC7A5
SCHEMBL4685289 0.85 CYP4F2 (0.66) LOXL2CYP4F2CYP4A11PPM1DSLC7A5
SCHEMBL1832316 0.85 KMT2A (0.56) LOXL2CYP4F2CYP4A11PPM1DALDH1A1
SCHEMBL7347566 0.83 EED (0.64) LOXL2CYP4F2CYP4A11PPM1DSLC7A5
SCHEMBL17982809 0.82 KDM4E (0.56) LOXL2KDM4EMAPT
SCHEMBL4951050 0.80 LOXL2 (0.54) LOXL2CYP4F2CYP4A11PPM1DSLC7A5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
CN-101238124-A Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO INC (US) 2008-08-06 CN disclosed
EP-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 LOXL2 4165/4885CYP4F2 2580/4885CYP4A11 246/4885

“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.