SCHEMBL755881

SCHEMBL755881

COC(=O)c1cccc(C(C)C2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PARP1 P09874 1/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CASR P41180 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL15630909 0.84 SLC7A5 (0.48) RAB9ALOXL2TSHRCYP4F2CYP4A11
SCHEMBL7346637 0.83 PARP1 (0.42) RAB9AALDH1A1KMT2APARP1MEN1
SCHEMBL28315221 0.81 MAPT (0.50) RAB9ALOXL2TSHRALDH1A1KDM4E
SCHEMBL84441 0.80 TSHR (0.53) RAB9ALOXL2TSHRPTGS1PTGS2
SCHEMBL15564410 0.79 RAB9A (0.42) RAB9ALOXL2TSHRCYP4F2CYP4A11
SCHEMBL698948 0.79 TSHR (0.52) RAB9ALOXL2TSHRPTGS1PTGS2
SCHEMBL4410705 0.79 LOXL2 (0.56) RAB9ALOXL2TSHRPTGS1PTGS2
SCHEMBL4410700 0.79 LOXL2 (0.56) RAB9ALOXL2TSHRPTGS1PTGS2
SCHEMBL246026 0.79 TSHR (0.52) RAB9ALOXL2TSHRPTGS1PTGS2
SCHEMBL26453747 0.79 TSHR (0.52) RAB9ALOXL2TSHRPTGS1PTGS2

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 RAB9A 1941/4885LOXL2 4165/4885TSHR 4146/4885

“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.