SCHEMBL3741228

SCHEMBL3741228

CC(C)OCC1CNCc2ccc(Cl)nc2O1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNB2 P17787 3/20 0.30
CHRNB4 P30926 3/20 0.30
CHRNA3 P32297 3/20 0.30
CHRNA7 P36544 3/20 0.30
CHRNA4 P43681 3/20 0.30

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
SCHEMBL3752444 0.77 SLC6A4 (0.31) SLC6A4
SCHEMBL3702103 0.76 CHRNB2 (0.32) HTR2AHTR2CHTR2BKCNH2CHRNB2
SCHEMBL10200444 0.74 HTR2A (0.40) HTR2AHTR2CHTR2BKCNH2CHRNB2
Hydrochloric Acid SCHEMBL2106541 0.73 HTR2A (0.39) HTR2AHTR2CHTR2BKCNH2CHRNB2
SCHEMBL3747615 0.70 CHRNB2 (0.34) HTR2AHTR2CHTR2BKCNH2CHRNB2
SCHEMBL3706859 0.68 MEN1 (0.38) HTR2AHTR2CHTR2BKCNH2CHRNB2
SCHEMBL3706863 0.68 MEN1 (0.38) HTR2AHTR2CHTR2BKCNH2CHRNB2
SCHEMBL3702568 0.68 CHRNB2 (0.31) HTR2AHTR2CHTR2BCHRNB2CHRNB4
SCHEMBL13970709 0.66
SCHEMBL3745574 0.66 HTR2A (0.31) HTR2AHTR2CHTR2BKCNH2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 SLC6A2 3599/4885SLC6A4 4528/4885SLC6A3 4185/4885

“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.