SCHEMBL5423993

SCHEMBL5423993

NCCCN1CCC(N2CCc3cnc(O)c4cccc2c34)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
DRD3 P35462 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SLC6A4 P31645 1/20 0.33
SRC P12931 3/20 0.32
HTR2A P28223 1/20 0.32
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
LCK P06239 1/20 0.31
ABL2 P42684 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL5407027 0.95 DRD3 (0.39) DRD2DRD3HTR2A
SCHEMBL5421510 0.94 NOS3 (0.35) DRD2DRD3NOS3NOS1NOS2
SCHEMBL5428066 0.91 NOS3 (0.36) DRD2DRD3NOS3NOS1NOS2
SCHEMBL5420972 0.89 DRD3 (0.36) DRD2DRD3
SCHEMBL5423943 0.89 NOS3 (0.41) DRD2DRD3NOS3NOS1NOS2
SCHEMBL5418313 0.87 HTR4 (0.35) DRD2DRD3SLC6A4HTR2ASIGMAR1
SCHEMBL5407123 0.87 DRD2 (0.35) DRD2DRD3SLC6A4HTR2ACYP2D6
SCHEMBL5415623 0.87 DRD3 (0.37) DRD2DRD3NOS3NOS1NOS2
SCHEMBL5425324 0.85 CARM1 (0.38) SIGMAR1
SCHEMBL5427732 0.85 KDM4E (0.38) DRD3NOS3NOS1NOS2SIGMAR1

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 1030/4885NOS3 3416/4885

“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.