SCHEMBL7920355

SCHEMBL7920355

CCOC(=O)/C=C1\CCCc2[nH]ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 3/20 0.38
ESR2 Q92731 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
BLM P54132 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
CDK19 Q9BWU1 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
SCHEMBL7395455 0.75 RXRA (0.49) CTDSP1KDM4ELMNATDP1HSD17B10
SCHEMBL5479417 0.75 RXRA (0.49) CTDSP1KDM4ELMNATDP1HSD17B10
SCHEMBL7395451 0.75 RXRA (0.49) CTDSP1KDM4ELMNATDP1HSD17B10
SCHEMBL6991841 0.74 CYP19A1 (0.40) CTDSP1ESR2KDM4ELMNATDP1
SCHEMBL6991846 0.74 CYP19A1 (0.40) CTDSP1ESR2KDM4ELMNATDP1
SCHEMBL7915161 0.73 MAPT (0.41) CTDSP1ESR2KDM4ETDP1HSD17B10
SCHEMBL12550714 0.73 RXRA (0.53) ESR2KDM4ELMNAKMT2AMEN1
SCHEMBL21538739 0.72 RXRA (0.49) CTDSP1ESR2KDM4ELMNATDP1
SCHEMBL4514586 0.72 CTDSP1 (0.40) CTDSP1ESR2KDM4ELMNATDP1
SCHEMBL8485089 0.72 CTDSP1 (0.40) CTDSP1ESR2KDM4ELMNATDP1

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-9505739-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2016-11-29 US disclosed
US-20150038490-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2015-02-05 US disclosed
US-8865701-B2 Spiropyrrolidine beta-secretase inhibitors for the treatment of alzheimer'S disease MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
EP-2398789-B1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
WO-2010094242-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-08-26 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-20150038490-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP CTDSP1 2994/4885ESR2 857/4885JAK2 4863/4885
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP CTDSP1 2994/4885ESR2 857/4885JAK2 4863/4885

“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.