SCHEMBL2776089

SCHEMBL2776089

CC(C)(C)OC(=O)N(CCC(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.47
ROCK1 Q13464 3/20 0.47
MYLK4 Q86YV6 1/20 0.47
NOTUM Q6P988 4/20 0.44
PRMT3 O60678 4/20 0.42
IMPDH2 P12268 1/20 0.41

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
SCHEMBL2779492 0.91 ROCK2 (0.46) ROCK2NOTUMPRMT3IMPDH2
SCHEMBL16040568 0.90 ROCK2 (0.49) ROCK2ROCK1NOTUMPRMT3IMPDH2
SCHEMBL15844207 0.87 NOTUM (0.42) ROCK2ROCK1NOTUMPRMT3IMPDH2
SCHEMBL115009 0.86 ROCK2 (0.53) ROCK2ROCK1MYLK4NOTUMPRMT3
SCHEMBL1094669 0.85 NOTUM (0.44) ROCK2NOTUMPRMT3IMPDH2
SCHEMBL15844181 0.83 NOTUM (0.47) ROCK2ROCK1NOTUMPRMT3IMPDH2
SCHEMBL2778219 0.83 NOTUM (0.42) ROCK2ROCK1MYLK4NOTUMPRMT3
SCHEMBL2777629 0.82 NOTUM (0.44) ROCK2ROCK1NOTUMIMPDH2
SCHEMBL13404759 0.80 NOTUM (0.53) ROCK2ROCK1NOTUMPRMT3IMPDH2
SCHEMBL113278 0.78 NOTUM (0.49) ROCK2ROCK1NOTUMPRMT3IMPDH2

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001848-A1 ROCK INHIBITORS AND USES THEREOF ALCON INC (CH) 2026-01-01 US disclosed
EP-4335507-A2 COMBINATION THERAPY Aerie Pharmaceuticals, Inc. (US) 2024-03-13 EP disclosed
EP-4218759-A2 COMBINATION THERAPY Aerie Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
EP-3811943-B1 COMPOUND FOR USE IN THE TREATMENT OF OCULAR DISORDERS AERIE PHARMACEUTICALS INC (US) 2023-02-22 EP disclosed
US-20220088000-A1 COMBINATION THERAPY ALCON INC. (CH) 2022-03-24 US disclosed
US-11197853-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-11185538-B2 Compositions for treating glaucoma or reducing intraocular pressure AERIE PHARMACEUTICALS, INC. (US) 2021-11-30 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
CN-109528721-B Combination therapy 爱瑞制药公司 2021-10-01 CN disclosed
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
WO-2014144781-A1 COMBINATION THERAPY AERIE PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-20140275160-A1 COMBINATION THERAPY ALCON INC. (CH) 2014-09-18 US disclosed
US-20140275161-A1 COMBINATION THERAPY ALCON INC. (CH) 2014-09-18 US disclosed
US-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-8716310-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2013-06-20 US disclosed
US-8394826-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2010-11-04 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 (13 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 10/4885MYLK4 146/4885
US-20140187617-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-20220088000-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885MYLK4 594/4885
US-11185538-B2 Compositions for treating glaucoma or reducing intraocular pressure PTGS1, PTGIS, PTGS2 ROCK2 55/4885ROCK1 52/4885MYLK4 383/4885
US-20130158015-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-20140275160-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885MYLK4 594/4885
US-20150175549-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-11197853-B2 Combination therapy PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885MYLK4 594/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ROCK2 2/4885ROCK1 6/4885MYLK4 196/4885
US-20100280011-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885MYLK4 146/4885
US-20140275161-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885MYLK4 594/4885
US-20260001848-A1 ROCK INHIBITORS AND USES THEREOF ROCK1, ROCK2, PRKG1 ROCK2 2/4885ROCK1 1/4885MYLK4 184/4885

“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.