SCHEMBL3598592

SCHEMBL3598592

[CH2]CC(C)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
TSHR P16473 1/20 0.52
TACR1 P25103 5/20 0.47
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.42
SLC1A1 P43005 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL14453899 0.88 TSHR (0.61) CA1CA2CA7CA9TSHR
SCHEMBL12519871 0.82 TSHR (0.54) CA1CA2CA7CA9TSHR
SCHEMBL12519869 0.82 TSHR (0.54) CA1CA2CA7CA9TSHR
SCHEMBL10052366 0.82 TSHR (0.54) CA1CA2CA7CA9TSHR
SCHEMBL13003073 0.82 TSHR (0.54) CA1CA2CA7CA9TSHR
SCHEMBL9510653 0.81 TSHR (0.48) CA1CA2CA7CA9TSHR
SCHEMBL24391306 0.81 TSHR (0.52) CA1CA2CA7CA9TSHR
SCHEMBL10812455 0.81 TSHR (0.52) CA1CA2CA7CA9TSHR
SCHEMBL7863791 0.81 TSHR (0.52) CA1CA2CA7CA9TSHR
SCHEMBL149042 0.81 CA1 (0.53) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP claimed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US claimed
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-25 US claimed
EP-2013171-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE Merck Sharp & Dohme Limited (GB) 2009-01-14 EP claimed
WO-2007125364-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-11-08 WO claimed
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP disclosed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US disclosed
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
EP-2013171-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE Merck Sharp & Dohme Limited (GB) 2009-01-14 EP disclosed
WO-2007125364-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-11-08 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 (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-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 CA1 2161/4885CA2 3721/4885CA7 4674/4885

“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.