SCHEMBL757145

SCHEMBL757145

COC(=O)C1=C(C)CCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.47
ACHE P22303 3/20 0.46
SLC6A2 P23975 9/20 0.44
SLC6A4 P31645 1/20 0.42
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL819039 0.95 SLC6A3 (0.47) SLC6A3ACHESLC6A2SLC6A4
SCHEMBL17517038 0.93 SLC6A3 (0.49) SLC6A3ACHESLC6A2SLC6A4
SCHEMBL2490865 0.86
SCHEMBL8636289 0.85 SLC6A3 (0.53) SLC6A3ACHESLC6A2SLC6A4
SCHEMBL2131145 0.80 SLC6A3 (0.53) SLC6A3ACHESLC6A2SLC6A4
SCHEMBL29868840 0.79 SLC6A3 (0.49) SLC6A3ACHESLC6A2SLC6A4
SCHEMBL4721379 0.78 MAPT (0.50) TSHRL3MBTL1
SCHEMBL9561660 0.77 SLC6A3 (0.50) SLC6A3ACHESLC6A2SLC6A4
SCHEMBL31574382 0.76 SLC6A3 (0.46) SLC6A3ACHESLC6A2SLC6A4
SCHEMBL10752423 0.76 SLC6A3 (0.46) SLC6A3ACHESLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2510786-A1 Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives Bayer CropScience AG (DE) 2012-10-17 EP disclosed
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
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
US-20110071136-A1 NOVEL TRICYCLIC PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC (US) 2011-03-24 US disclosed
EP-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO 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 (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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 SLC6A3 2389/4885ACHE 76/4885SLC6A2 1716/4885
US-20110071136-A1 NOVEL TRICYCLIC PROTEIN KINASE MODULATORS PACSIN2, CSNK2A3, CKS2 SLC6A3 4855/4885ACHE 2697/4885SLC6A2 4873/4885

“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.