SCHEMBL660773

SCHEMBL660773

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc3c(cnn3C3CCCCO3)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
BTK Q06187 1/20 0.45
USP30 Q70CQ3 2/20 0.44
GPR119 Q8TDV5 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GFER P55789 2/20 0.43
ROCK2 O75116 3/20 0.42
ALDH1A1 P00352 2/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL660627 1.00 RXRA (0.45) RXRARXRBRXRGBTKUSP30
SCHEMBL660626 1.00 RXRA (0.45) RXRARXRBRXRGBTKUSP30
SCHEMBL658033 0.96 GPR119 (0.46) RXRARXRBRXRGBTKUSP30
SCHEMBL658032 0.96 GPR119 (0.46) RXRARXRBRXRGBTKUSP30
SCHEMBL660723 0.96 GPR119 (0.46) RXRARXRBRXRGBTKUSP30
SCHEMBL660005 0.87 RXRA (0.52) RXRARXRBRXRGGFERNPC1
SCHEMBL530149 0.82 USP30 (0.44) BTKUSP30GPR119HDAC4HDAC6
SCHEMBL660475 0.82 RXRA (0.53) RXRARXRBRXRGGFERROCK2
SCHEMBL24638316 0.81 GPR119 (0.51) RXRARXRBRXRGGPR119MAPT
SCHEMBL31639371 0.80 USP30 (0.41) BTKUSP30HDAC4HDAC6PIM1

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-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
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-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
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 (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-20130012543-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 RXRA 4271/4885RXRB 4175/4885RXRG 4069/4885
US-20120046275-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 RXRA 4271/4885RXRB 4175/4885RXRG 4069/4885
US-20080214614-A1 CYTOSKELETAL ACTIVE RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 RXRA 4271/4885RXRB 4175/4885RXRG 4069/4885

“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.