SCHEMBL755824

SCHEMBL755824

CC(c1cccc(CO)c1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.38
ENPP2 Q13822 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
PRKCI P41743 1/20 0.35
FFAR1 O14842 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL755050 0.83 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL28110010 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3LMNATDP1
SCHEMBL7448777 0.81 HTR2A (0.45) ENPP2CHRNB4CHRNA3PRSS1PRSS2
SCHEMBL11888529 0.77 ENPP2 (0.45) S1PR1ENPP2PRSS1PRSS2PRSS3
SCHEMBL3279344 0.77 HDAC4 (0.47) S1PR1ENPP2PRSS1PRSS2PRSS3
SCHEMBL16191365 0.77 SMN1; SMN2 (0.45) SLC6A2SLC6A4SLC6A3DDB1CRBN
SCHEMBL23923595 0.77 ADRB1 (0.50) SLC6A2SLC6A4SLC6A3DRD3TSHR
SCHEMBL30317791 0.77 ADRB1 (0.50) SLC6A2SLC6A4SLC6A3DRD3TSHR
SCHEMBL23923596 0.77 ADRB1 (0.50) SLC6A2SLC6A4SLC6A3DRD3TSHR
SCHEMBL19759679 0.76 ENPP2 (0.44) S1PR1ENPP2PRSS1PRSS2PRSS3

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
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

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 S1PR1 900/4885ENPP2 600/4885SLC6A2 1716/4885

“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.