SCHEMBL5596408

SCHEMBL5596408

O=C1CCN1CCN1CCCC(N2CCc3cncc4cccc2c34)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.33
SIGMAR1 Q99720 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
DRD3 P35462 2/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL5415645 0.94 DRD2 (0.35) DRD2DRD3HTR1AHTR2AHTR7
SCHEMBL5412392 0.91 ADRA1B (0.39) DRD2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL5419598 0.90 ACHE (0.37) DRD2SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL5425309 0.88 HTR2A (0.37) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL5596515 0.86 DRD2 (0.39) DRD2DRD3
SCHEMBL5596494 0.85 DRD2 (0.36) DRD2DRD3
SCHEMBL5596830 0.85 DRD2 (0.36) DRD2DRD3
SCHEMBL5410015 0.85 ADRA1B (0.43) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL5597037 0.85 GSK3B (0.37) DRD2DRD3
SCHEMBL5596645 0.84 DRD2 (0.40) DRD2DRD3

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
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A DRD2 1473/4885SIGMAR1 236/4885PIK3CD 630/4885

“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.