SCHEMBL530149

SCHEMBL530149

CC(C)(C)OC(=O)N1CCCC(Nc2ccc3c(cnn3C(=O)C(C)(C)C)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.44
ROCK2 O75116 3/20 0.44
BTK Q06187 1/20 0.43
GFER P55789 2/20 0.43
ALDH1A1 P00352 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PARP1 P09874 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
KMT2A Q03164 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
SCHEMBL529648 0.89 GFER (0.46) GFERRAB9AKMT2A
SCHEMBL660773 0.82 RXRA (0.45) USP30ROCK2BTKGFERALDH1A1
SCHEMBL660626 0.82 RXRA (0.45) USP30ROCK2BTKGFERALDH1A1
SCHEMBL660627 0.82 RXRA (0.45) USP30ROCK2BTKGFERALDH1A1
SCHEMBL1974295 0.81 SUV39H2 (0.46) ROCK2ALDH1A1GPR119
SCHEMBL530584 0.80 ROCK2 (0.53) ROCK2GFERALDH1A1KMT2A
SCHEMBL661324 0.80 ROCK2 (0.53) ROCK2GFERALDH1A1KMT2A
SCHEMBL659493 0.80 RHOA (0.48) ROCK2GFERKMT2A
SCHEMBL13730174 0.79 ROCK2 (0.56) ROCK2
SCHEMBL5817971 0.79 ROCK2 (0.64) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604205-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
US-8604218-B2 Cytoskeletal active rho kinase inhibitor compounds, composition and use INSPIRE PHARMACEUTICALS, INC. (US) 2013-12-10 US disclosed
EP-2597953-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS Inspire Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2013-01-10 US disclosed
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2012-02-23 US disclosed
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2012-02-23 US disclosed
WO-2012015760-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
WO-2012015760-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-8071779-B2 reduces intraocular pressure; primary open-angle glaucoma; effective to influence the actomyosin interactions by leading to cellular relaxation and alterations in cell-substratum adhesions INSPIRE PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
EP-2099457-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2009-09-16 EP disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2008-09-04 US disclosed
WO-2008077057-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
WO-2008077057-A2 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2008-06-26 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 (4 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-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS ROCK1, ROCK2, CIT USP30 4123/4885ROCK2 2/4885BTK 656/4885
US-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 USP30 3932/4885ROCK2 3/4885BTK 1027/4885
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 USP30 3932/4885ROCK2 3/4885BTK 1027/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 USP30 3932/4885ROCK2 3/4885BTK 1027/4885

“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.