SCHEMBL16819084

SCHEMBL16819084

NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(CCOc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.69
ROCK1 Q13464 1/20 0.65

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
SCHEMBL9883174 0.88 ROCK2 (0.83) ROCK2ROCK1
Hydrochloric Acid SCHEMBL113580 0.87 ROCK2 (0.81) ROCK2ROCK1
SCHEMBL21790249 0.81 ROCK2 (0.79) ROCK2ROCK1
SCHEMBL21790245 0.81 ROCK2 (0.79) ROCK2ROCK1
SCHEMBL19886643 0.81 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL24735945 0.80 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL21514522 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL21514529 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2775991 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2778287 0.79 ROCK2 (0.72) ROCK2ROCK1

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-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2015-06-25 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 (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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885

“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.