SCHEMBL4136689

SCHEMBL4136689

CN1C(=O)CC(c2ccc(Cl)c(Cl)c2)N=C1N

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.57
TAAR1 Q96RJ0 1/20 0.47
HIF1A Q16665 1/20 0.40
CYP19A1 P11511 1/20 0.39
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 6/20 0.36
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 3/20 0.36
PTGS1 P23219 1/20 0.36
PDE5A O76074 1/20 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
SCHEMBL4143571 0.78 TSHR (0.50) BACE1TAAR1CYP19A1
SCHEMBL12207611 0.77 CYP19A1 (0.40) BACE1CYP19A1
SCHEMBL4136824 0.72 BACE1 (1.00) BACE1TAAR1CYP19A1SLC6A2SLC6A4
SCHEMBL11432807 0.65 BACE1 (0.51) BACE1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7857600 0.65 CYP19A1 (0.37) BACE1CYP19A1
SCHEMBL3613792 0.64 TAAR1 (1.00) TAAR1
SCHEMBL3615476 0.64 TAAR1 (1.00) TAAR1
SCHEMBL11882456 0.64 BACE1 (0.61) BACE1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3613795 0.64 TAAR1 (1.00) TAAR1
SCHEMBL4146842 0.63 BACE1 (1.00) BACE1

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 3/4885TAAR1 263/4885HIF1A 3156/4885
US-20090062282-A1 Substituted Amino-Pyrimidones and Uses Thereof APP, PSEN1, PSEN2 BACE1 4/4885TAAR1 170/4885HIF1A 3754/4885

“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.