SCHEMBL5405065

SCHEMBL5405065

NCCCN1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.38
DRD3 P35462 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR2A P28223 1/20 0.33
SRC P12931 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL5413655 0.93 DRD2 (0.36) DRD2ROCK2ROCK1NOS3NOS1
SCHEMBL5412551 0.89 NR1H4 (0.39) DRD2DRD3ROCK2ROCK1NOS3
SCHEMBL5596645 0.89 DRD2 (0.40) DRD2DRD3ROCK2ROCK1
SCHEMBL5421297 0.88 DRD2 (0.40) DRD2DRD3
SCHEMBL5410473 0.87 NOS3 (0.42) DRD2DRD3ROCK2ROCK1NOS3
SCHEMBL5405084 0.86 DRD2 (0.37) DRD2DRD3ROCK2ROCK1HTR2A
SCHEMBL5597147 0.85 DRD2 (0.41) DRD2DRD3
SCHEMBL5420304 0.85 DRD2 (0.39) DRD2DRD3
SCHEMBL5404808 0.85 DRD2 (0.37) DRD2DRD3
SCHEMBL5419710 0.84 CARM1 (0.40) ROCK2ROCK1SIGMAR1

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 DRD2 2064/4885DRD3 1030/4885ROCK2 795/4885

“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.