SCHEMBL5407027

SCHEMBL5407027

NCCCN1CCC(N2CCc3cnc(O)c4cccc2c34)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.39
DRD2 P14416 4/20 0.38
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 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
SCHEMBL5423993 0.95 DRD2 (0.34) DRD3DRD2HTR2A
SCHEMBL5420972 0.94 DRD3 (0.36) DRD3DRD2
SCHEMBL5415623 0.92 DRD3 (0.37) DRD3DRD2
SCHEMBL5410173 0.90 NOS3 (0.36) DRD3DRD2
SCHEMBL5421510 0.89 NOS3 (0.35) DRD3DRD2
SCHEMBL5421294 0.89 DRD2 (0.38) DRD3DRD2HTR2AHTR2CADRA1A
SCHEMBL5410130 0.89 DRD2 (0.36) DRD3DRD2HTR2AHTR2CADRA1A
SCHEMBL5406936 0.86 KDM4E (0.35) DRD3DRD2
SCHEMBL5410797 0.86 DRD3 (0.40) DRD3DRD2
SCHEMBL5409922 0.86 CARM1 (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 claimed
EP-1632492-A1 TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2006-03-08 EP claimed
US-20050096310-A1 Tricyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-05-05 US claimed

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 DRD3 1030/4885DRD2 2064/4885HTR2A 1671/4885

“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.