SCHEMBL5423943

SCHEMBL5423943

OCCN1CCC(N2CCc3cnc(O)c4cccc2c34)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
SRC P12931 2/20 0.38
ABL2 P42684 2/20 0.38
LCK P06239 1/20 0.38
SLC18A3 Q16572 1/20 0.35
SCD O00767 4/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RAD52 P43351 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL5428066 0.94 NOS3 (0.36) NOS3NOS1NOS2ABL1EGFR
SCHEMBL5410173 0.94 NOS3 (0.36) NOS3NOS1NOS2ABL1EGFR
SCHEMBL5421510 0.90 NOS3 (0.35) NOS3NOS1NOS2ABL1EGFR
SCHEMBL5423993 0.89 DRD2 (0.34) NOS3NOS1NOS2ABL1EGFR
SCHEMBL5415623 0.88 DRD3 (0.37) NOS3NOS1NOS2DRD2DRD3
SCHEMBL5418005 0.88 KDM4E (0.36) NOS3NOS1NOS2ABL1EGFR
SCHEMBL5427732 0.88 KDM4E (0.38) NOS3NOS1NOS2DRD3KDM4E
SCHEMBL5425324 0.88 CARM1 (0.38)
SCHEMBL5423676 0.86 HTR2A (0.41) DRD2
SCHEMBL5418313 0.86 HTR4 (0.35) DRD2DRD3KDM4EMAPTOPRM1

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 NOS3 3416/4885NOS1 3577/4885NOS2 4120/4885

“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.