SCHEMBL5596822

SCHEMBL5596822

OCCCCCNC1CCC(N2CCc3cncc4cccc2c34)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
GPBAR1 Q8TDU6 3/20 0.32
TBXAS1 P24557 2/20 0.32
SMYD3 Q9H7B4 1/20 0.30
GRIN2B Q13224 2/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL5415749 0.96 ROCK2 (0.35) ROCK2ROCK1GPBAR1SMYD3
SCHEMBL5410280 0.92 ROCK2 (0.36) ROCK2ROCK1GPBAR1SMYD3
SCHEMBL5596706 0.89 ROCK2 (0.34) ROCK2ROCK1GPBAR1SMYD3GRIN2B
SCHEMBL5596581 0.89 ROCK2 (0.36) ROCK2ROCK1GPBAR1GRIN2B
SCHEMBL5417474 0.88 ROCK2 (0.35) ROCK2ROCK1GPBAR1SMYD3
SCHEMBL5596968 0.88 HTR2C (0.39) ROCK2ROCK1GPBAR1TBXAS1
SCHEMBL5420227 0.87 ROCK2 (0.36) ROCK2ROCK1GPBAR1
SCHEMBL5596659 0.87 ROCK2 (0.36) ROCK2ROCK1GPBAR1
SCHEMBL5596785 0.86 ROCK2 (0.38) ROCK2ROCK1GPBAR1
SCHEMBL5415719 0.86 ROCK2 (0.36) ROCK2ROCK1GPBAR1SMYD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A ROCK2 255/4885ROCK1 29/4885GPBAR1 2036/4885

“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.