SCHEMBL5533233

SCHEMBL5533233

Cc1ccc(C2CN(C)Cc3ccc(Cl)cc3O2)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A3 Q01959 7/20 0.39
AVPR1A P37288 2/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CXCR4 P61073 1/20 0.31
PDE10A Q9Y233 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL3703919 0.79 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CXCR4PDE10A
SCHEMBL5580038 0.78 NISCH (0.32) NISCH
SCHEMBL17459374 0.64 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL3699653 0.64 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CXCR4OPRM1
SCHEMBL20198840 0.64 CCR1 (0.50) MAPTPDE10AOPRM1OPRL1
SCHEMBL14186232 0.62 DRD4 (0.46) CXCR4PDE10AOPRM1OPRL1
SCHEMBL3740802 0.61 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL21037741 0.59 DRD4 (0.48)
SCHEMBL3699707 0.59 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL17459363 0.59 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3

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
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 SLC6A2 432/4885SLC6A4 1726/4885SLC6A3 1808/4885

“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.