SCHEMBL20511546

SCHEMBL20511546

COc1cccc(CN(CCO)C(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCN2CCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.71
ROCK1 Q13464 9/20 0.69
CDC42BPA Q5VT25 4/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64

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
SCHEMBL3241720 0.96 ROCK2 (0.70) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3249778 0.95 ROCK2 (0.74) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3247662 0.94 ROCK2 (0.75) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3242776 0.93 ROCK2 (0.77) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3242868 0.91 ROCK2 (0.82) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3238655 0.90 ROCK2 (0.71) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3130135 0.90 ROCK2 (0.80) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3249876 0.90 ROCK2 (0.80) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3121595 0.89 ROCK2 (0.80) ROCK2ROCK1CDC42BPACYP3A4CYP2D6
SCHEMBL3126880 0.88 ROCK2 (0.80) ROCK2ROCK1CDC42BPACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2024-03-21 US disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 US disclosed
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders Graybug Vision, Inc. (US) 2023-01-10 US disclosed
EP-3600324-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-02-05 EP disclosed
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-01-30 US disclosed
US-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2020-01-30 US disclosed
CN-110662543-A Medicaments and compositions for treating ocular diseases 灰色视觉公司 2020-01-07 CN disclosed
WO-2018175922-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-09-27 WO 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 (3 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-20200031783-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D ROCK2 400/4885ROCK1 197/4885CDC42BPA 2048/4885
US-11548861-B2 Drugs and compositions for the treatment of ocular disorders PDE6C, PDE6A, PDE6D ROCK2 400/4885ROCK1 197/4885CDC42BPA 2048/4885
US-20240092745-A1 DRUGS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PDE6C, PDE6A, PDE6D ROCK2 400/4885ROCK1 197/4885CDC42BPA 2048/4885

“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.