SCHEMBL5453590

SCHEMBL5453590

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.45
DRD2 P14416 5/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HTR1A P08908 6/20 0.42
HTR7 P34969 5/20 0.42
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
NAMPT P43490 1/20 0.40
CACNA1G O43497 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL5457335 0.88 DRD2 (0.51) WDR5DRD2HTR1AHTR1DHTR1B
SCHEMBL5445133 0.87 CACNA1G (0.42) WDR5HTR1AHTR7PDE4BPDE7A
SCHEMBL5455289 0.85 DRD2 (0.52) DRD2HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL5455064 0.84 DRD2 (0.49) WDR5DRD2HTR1AHTR1DHTR1B
SCHEMBL5464302 0.83 NPC1 (0.46) HTR1AHTR1DHTR1BNAMPTSIGMAR1
SCHEMBL5454903 0.83 NPC1 (0.53) DRD2HTR1AHTR7HTR1DHTR1B
SCHEMBL5452326 0.81 DRD2 (0.46) DRD2HTR1AHTR7HTR1DHTR1B
SCHEMBL5452393 0.80 MAPT (0.51) HTR1AHTR1DHTR1BNAMPT
SCHEMBL5445105 0.80 HTR1A (0.42) DRD2HTR1AHTR7HTR1DHTR1B
SCHEMBL5445301 0.79 ABCB1 (0.49) HTR1AHTR7HTR1DHTR1BNAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A WDR5 4163/4885DRD2 27/4885CA1 3416/4885

“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.