SCHEMBL5404808

SCHEMBL5404808

O=C1CCN1CCCN1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.37
CHRM1 P11229 8/20 0.36
CHRM2 P08172 7/20 0.36
CHRM4 P08173 7/20 0.36
CHRM5 P08912 7/20 0.36
CHRM3 P20309 7/20 0.36
DRD3 P35462 7/20 0.36
DRD4 P21917 6/20 0.36
ADRA1B P35368 5/20 0.36
ADRA1A P35348 3/20 0.36
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRA1D P25100 2/20 0.36
DRD1 P21728 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL5425309 0.94 HTR2A (0.37) DRD2ADRA1BADRA1AADRA1D
SCHEMBL5410015 0.88 ADRA1B (0.43) DRD2ADRA1BADRA1AADRA1D
SCHEMBL5415645 0.88 DRD2 (0.35) DRD2DRD3
SCHEMBL5412606 0.87 ADRA1B (0.40) DRD2ADRA1BADRA1AADRA1DKCNH2
SCHEMBL5405065 0.85 DRD2 (0.38) DRD2DRD3
SCHEMBL5412551 0.85 NR1H4 (0.39) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5596408 0.83 DRD2 (0.33) DRD2DRD3ADRA1BADRA1AADRA1D
SCHEMBL5412392 0.83 ADRA1B (0.39) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5410473 0.82 NOS3 (0.42) DRD2DRD3
SCHEMBL5413655 0.82 DRD2 (0.36) DRD2

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 DRD2 2064/4885CHRM1 15/4885CHRM2 42/4885

“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.