SCHEMBL3718740

SCHEMBL3718740

CN(CC(O)c1ccccc1)c1ccc(Cl)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.47
PRKDC P78527 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
SLC6A3 Q01959 2/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL3722431 1.00 AOC3 (0.47) AOC3PRKDCSLC6A2SLC6A4MEN1
SCHEMBL3706177 1.00 AOC3 (0.47) AOC3PRKDCSLC6A2SLC6A4MEN1
SCHEMBL3724643 0.85 CYP51A1 (0.43) SMN1; SMN2LMNAMKNK1ALDH1A1
SCHEMBL3720282 0.81 TSHR (0.42) SLC6A2SLC6A4LMNASLC6A3CYP2D6
SCHEMBL3719112 0.79 HTT (0.31) HTT
SCHEMBL3715630 0.78 RAB9A (0.50) AOC3PRKDCSLC6A2SLC6A4MEN1
SCHEMBL3717492 0.78 RAB9A (0.50) AOC3PRKDCSLC6A2SLC6A4MEN1
SCHEMBL3719339 0.78 AOC3 (0.45) AOC3PRKDCSLC6A2SLC6A4MEN1
SCHEMBL3707187 0.78 RAB9A (0.50) AOC3PRKDCSLC6A2SLC6A4MEN1
SCHEMBL3718266 0.76 AOC3 (0.43) AOC3PRKDCMEN1KMT2AKDM4E

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 2 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
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 AOC3 3061/4885PRKDC 4506/4885SLC6A2 3599/4885

“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.