SCHEMBL5407101

SCHEMBL5407101

CN(C)CCNC1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTK2B Q14289 1/20 0.32
ESR2 Q92731 1/20 0.32
CDK4 P11802 1/20 0.32
CDK6 Q00534 1/20 0.32
GPBAR1 Q8TDU6 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
SCHEMBL5596659 0.90 ROCK2 (0.36) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5596785 0.89 ROCK2 (0.38) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5415719 0.87 ROCK2 (0.36) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5410280 0.87 ROCK2 (0.36) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5420227 0.86 ROCK2 (0.36) VCPROCK2ROCK1OPRM1OPRD1
SCHEMBL5596581 0.86 ROCK2 (0.36) VCPROCK2ROCK1OPRM1OPRD1
SCHEMBL5417474 0.85 ROCK2 (0.35) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5415749 0.85 ROCK2 (0.35) ROCK2ROCK1OPRM1OPRD1OPRK1
SCHEMBL5596706 0.84 ROCK2 (0.34) ROCK2ROCK1GPBAR1
SCHEMBL5596822 0.83 ROCK2 (0.36) ROCK2ROCK1GPBAR1

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 VCP 3342/4885ROCK2 795/4885ROCK1 297/4885

“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.