SCHEMBL4142226

SCHEMBL4142226

CC(C)C1(c2ccc(Cl)c(Cl)c2)CC(=O)NC(N)=N1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.66
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A3 Q01959 6/20 0.39
KCNH2 Q12809 4/20 0.35
PTGS1 P23219 1/20 0.34
CYP2D6 P10635 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
SCHEMBL4150737 0.80 BACE1 (1.00) BACE1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4141478 0.79 BACE1 (0.62) BACE1SLC6A4SLC6A2SLC6A3
SCHEMBL4134653 0.76 BACE1 (0.66) BACE1SLC6A4SLC6A2SLC6A3
SCHEMBL4140687 0.68 BACE1 (0.78) BACE1
SCHEMBL8202810 0.62 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL4146842 0.61 BACE1 (1.00) BACE1
SCHEMBL13904519 0.61 SLC6A4 (0.54) BACE1SLC6A4SLC6A2SLC6A3
SCHEMBL4151589 0.59 BACE1 (0.69) BACE1SLC6A4SLC6A2SLC6A3
SCHEMBL6950674 0.59 BACE1 (0.45) BACE1SLC6A4SLC6A2SLC6A3
SCHEMBL4136824 0.59 BACE1 (1.00) BACE1SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1802587-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006041404-A1 SUBSTITUTED AMINO-COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090221579-A1 Substituted Amino-Compounds and Uses Thereof APP, PSEN1, BACE1 BACE1 3/4885SLC6A4 307/4885SLC6A2 179/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885SLC6A4 397/4885SLC6A2 206/4885

“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.