SCHEMBL3753949

SCHEMBL3753949

CN1Cc2ncc(Cl)nc2O[C@H](c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.33
SLC6A4 P31645 11/20 0.33
SLC6A3 Q01959 11/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
RGS12 O14924 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX12 P18054 1/20 0.30
NFKB1 P19838 1/20 0.30
HTR2A P28223 1/20 0.30
MAPK1 P28482 1/20 0.30
ADRA1A P35348 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL3753956 1.00 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3DRD2DRD1
SCHEMBL3753480 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3DRD2DRD1
SCHEMBL3703663 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3DRD2DRD1
SCHEMBL3706185 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3DRD2DRD1
SCHEMBL3746339 0.79 LTA4H (0.38)
SCHEMBL3746341 0.79 LTA4H (0.38)
SCHEMBL3748797 0.78 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3DRD2DRD1
SCHEMBL3748794 0.78 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3DRD2DRD1
SCHEMBL3741386 0.74 ATM (0.32) DRD2DRD1CYP3A4CYP2D6ATM
SCHEMBL3741380 0.74 ATM (0.32) DRD2DRD1CYP3A4CYP2D6ATM

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-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
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
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US 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 SLC6A2 3599/4885SLC6A4 4528/4885SLC6A3 4185/4885

“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.