SCHEMBL5412405

SCHEMBL5412405

O=C1CCCCN1CCN1CCC(N2CCc3cnc(O)c4cccc2c34)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
HTR2A P28223 5/20 0.35
HTR1A P08908 3/20 0.35
DRD2 P14416 3/20 0.35
HTR7 P34969 2/20 0.35
ADRA1B P35368 3/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
DRD3 P35462 2/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL5415015 0.97 HTR2A (0.37) ACHEHTR2AHTR1ADRD2HTR7
SCHEMBL5427709 0.95 HTR2A (0.38) ACHEHTR2AHTR1ADRD2HTR7
SCHEMBL5408232 0.94 HTR2A (0.39) HTR2AHTR1ADRD2HTR7DRD3
SCHEMBL5420700 0.92 ADRA1B (0.41) HTR2AHTR1ADRD2HTR7ADRA1B
SCHEMBL5423676 0.88 HTR2A (0.41) HTR2AHTR1ADRD2HTR7
SCHEMBL5420972 0.84 DRD3 (0.36) DRD2DRD3
SCHEMBL5410173 0.84 NOS3 (0.36) DRD2DRD3
SCHEMBL5414854 0.83 ACHE (0.40) ACHEHTR2AHTR1ADRD2HTR7
SCHEMBL5419598 0.83 ACHE (0.37) ACHEHTR2AHTR1ADRD2HTR7
SCHEMBL5410797 0.83 DRD3 (0.40) DRD2DRD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160894-B2 Antagonist of phosphorylation of myosin regulatory light chain, enzyme inhibitors; therapeutic treatment of glaucoma, bronchial asthma, chronic obstructive pulmonary disease, nervous system disorders; 4-(2,3-dihydro-1,5-diazaphenalen-1-yl)cyclohexylamine ASAHI KASEI PHARMA CORPORATION (JP) 2007-01-09 US disclosed
EP-1632492-A1 TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2006-03-08 EP disclosed
US-20050096310-A1 Tricyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-05-05 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-20050096310-A1 Tricyclic compound MYLK3, CSNK1A1L, MYLK ACHE 770/4885HTR2A 1671/4885HTR1A 443/4885

“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.