SCHEMBL4134653

SCHEMBL4134653

CCC1(c2ccc(Cl)c(Cl)c2)CC(=O)NC(N)=N1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.66
CYP19A1 P11511 1/20 0.39
SLC6A4 P31645 10/20 0.39
SLC6A3 Q01959 10/20 0.39
SLC6A2 P23975 4/20 0.36

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
SCHEMBL4141478 0.86 BACE1 (0.62) BACE1CYP19A1SLC6A4SLC6A3SLC6A2
SCHEMBL4150737 0.80 BACE1 (1.00) BACE1CYP19A1SLC6A4SLC6A3SLC6A2
SCHEMBL4142226 0.76 BACE1 (0.66) BACE1SLC6A4SLC6A3SLC6A2
SCHEMBL3613739 0.71 BACE1 (0.41) BACE1SLC6A4SLC6A3SLC6A2
SCHEMBL3613743 0.71 BACE1 (0.41) BACE1SLC6A4SLC6A3SLC6A2
SCHEMBL3623738 0.71 BACE1 (0.41) BACE1SLC6A4SLC6A3SLC6A2
SCHEMBL4140687 0.68 BACE1 (0.78) BACE1CYP19A1
SCHEMBL28262127 0.65 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2
SCHEMBL20972867 0.64 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL6950674 0.62 BACE1 (0.45) BACE1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US claimed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
US-20090221579-A1 Substituted Amino-Compounds and Uses Thereof ASTEX THERAPEUTICS (GB) 2009-09-03 US disclosed
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
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof ASTRAZENECA AB (SE) 2009-03-05 US 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 3/4885CYP19A1 2177/4885SLC6A4 307/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885CYP19A1 2084/4885SLC6A4 397/4885

“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.