SCHEMBL5417474

SCHEMBL5417474

NCCCNC1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
SMYD3 Q9H7B4 1/20 0.34
GPBAR1 Q8TDU6 3/20 0.33
DRD2 P14416 3/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
DRD3 P35462 1/20 0.30
CXCR4 P61073 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL5596706 0.97 ROCK2 (0.34) ROCK2ROCK1SMYD3GPBAR1DRD2
SCHEMBL5415719 0.94 ROCK2 (0.36) ROCK2ROCK1SMYD3GPBAR1DRD2
SCHEMBL5415749 0.90 ROCK2 (0.35) ROCK2ROCK1SMYD3GPBAR1OPRM1
SCHEMBL5596581 0.89 ROCK2 (0.36) ROCK2ROCK1GPBAR1DRD2OPRM1
SCHEMBL5420227 0.89 ROCK2 (0.36) ROCK2ROCK1GPBAR1DRD2OPRM1
SCHEMBL5596659 0.89 ROCK2 (0.36) ROCK2ROCK1GPBAR1OPRM1OPRD1
SCHEMBL5596822 0.88 ROCK2 (0.36) ROCK2ROCK1SMYD3GPBAR1
SCHEMBL5410280 0.88 ROCK2 (0.36) ROCK2ROCK1SMYD3GPBAR1OPRM1
SCHEMBL5596785 0.88 ROCK2 (0.38) ROCK2ROCK1GPBAR1DRD2OPRM1
SCHEMBL5596968 0.85 HTR2C (0.39) ROCK2ROCK1GPBAR1OPRM1OPRD1

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 5 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
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ROCK2 795/4885ROCK1 297/4885SMYD3 3748/4885
US-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A ROCK2 255/4885ROCK1 29/4885SMYD3 2104/4885

“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.