SCHEMBL3703345

SCHEMBL3703345

CN(Cc1ccc(Cl)nc1Cl)CC(O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
ADRB3 P13945 4/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
AOC3 Q16853 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
SLC2A1 P11166 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CNR2 P34972 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
SCHEMBL3715630 0.87 RAB9A (0.50) RAB9AAOC3MEN1KMT2AKDM4E
SCHEMBL3707187 0.87 RAB9A (0.50) RAB9AAOC3MEN1KMT2AKDM4E
SCHEMBL3717492 0.87 RAB9A (0.50) RAB9AAOC3MEN1KMT2AKDM4E
SCHEMBL3705816 0.85 AOC3 (0.50) RAB9AAOC3MEN1KMT2AKDM4E
SCHEMBL4537085 0.79 OPRM1 (0.36) ADRB3ADRB2ADRB1AOC3SLC6A2
SCHEMBL31419982 0.77 MEN1 (0.58) ADRB3ADRB2ADRB1AOC3MEN1
SCHEMBL25263679 0.76 SLC6A2 (0.48) ADRB3ADRB2ADRB1AOC3MEN1
SCHEMBL31068787 0.76 SLC6A2 (0.48) ADRB3ADRB2ADRB1AOC3MEN1
SCHEMBL31068695 0.74 AOC3 (0.46) ADRB3ADRB2ADRB1AOC3MEN1
SCHEMBL25299653 0.74 AOC3 (0.46) ADRB3ADRB2ADRB1AOC3MEN1

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 RAB9A 2619/4885ADRB3 230/4885ADRB2 215/4885

“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.