SCHEMBL10135618

SCHEMBL10135618

CN[C@H]1CCN(Cc2ccc3cnccc3c2)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.51
CCR2 P41597 7/20 0.50
ROCK1 Q13464 7/20 0.50

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
SCHEMBL10135620 0.84 ROCK2 (0.46) ROCK2CCR2ROCK1
SCHEMBL3314793 0.82 ROCK2 (0.56) ROCK2CCR2ROCK1
SCHEMBL3314802 0.82 ROCK2 (0.56) ROCK2CCR2ROCK1
SCHEMBL10135880 0.81 LTA4H (0.53) ROCK2CCR2ROCK1
SCHEMBL10135613 0.80 MCHR1 (0.51) ROCK2
SCHEMBL10135593 0.80 MCHR1 (0.51) ROCK2
SCHEMBL3313401 0.80 ROCK2 (0.64) ROCK2CCR2ROCK1
SCHEMBL3313404 0.80 ROCK2 (0.64) ROCK2CCR2ROCK1
SCHEMBL3315406 0.79 ROCK2 (0.61) ROCK2CCR2ROCK1
SCHEMBL3315415 0.79 ROCK2 (0.61) ROCK2CCR2ROCK1

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
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 ROCK2 1689/4885CCR2 752/4885ROCK1 1837/4885

“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.