SCHEMBL2495984

SCHEMBL2495984

CC(C)(C)OC(=O)N1CCC(Oc2ccc3c[n+]([O-])ccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.58
HRH3 Q9Y5N1 1/20 0.50
CHEK2 O96017 1/20 0.48
STS P08842 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL7455853 0.84 GPR119 (0.59) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL29862463 0.79 GPR119 (0.54) GPR119HRH3CHEK2
SCHEMBL2503394 0.79 GPR119 (0.54) GPR119HRH3CHEK2
SCHEMBL30701894 0.79 GPR119 (0.54) GPR119HRH3CHEK2
SCHEMBL567454 0.79 MMP1 (0.44) GPR119STSALDH1A1
SCHEMBL567453 0.79 MMP1 (0.44) GPR119STSALDH1A1
SCHEMBL23360301 0.78 IKBKB (0.54) GPR119HRH3CHEK2
SCHEMBL15586785 0.78 GPR119 (0.53) GPR119HRH3CHEK2ALDH1A1PDE4A
SCHEMBL29862689 0.78 IKBKB (0.54) GPR119HRH3CHEK2
SCHEMBL13324476 0.77 GPR119 (0.91) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612382-B2 Process for preparing 6-substituted-1-(2H)-isoquinolinones and intermediate compound VALO HEALTH INC. (US) 2026-04-28 US disclosed
US-20250296923-A1 PROCESS FOR PREPARING 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES AND INTERMEDIATE COMPOUND VALO HEALTH, INC. (US) 2025-09-25 US disclosed
CN-119630643-A Process and intermediate compounds for the preparation of 6-substituted-1- (2H) -isoquinolinones 瓦洛健康公司 2025-03-14 CN disclosed
US-20240287031-A1 PROCESS FOR PREPARING 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES AND INTERMEDIATE COMPOUND VALO HEALTH, INC. (US) 2024-08-29 US disclosed
US-20240287030-A1 PROCESS FOR PREPARING 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES AND INTERMEDIATE COMPOUND VALO HEALTH, INC. (US) 2024-08-29 US disclosed
EP-4402129-A1 <SMALLCAPS/>? ? ?H? ? ? ? ?PROCESS FOR PREPARING 6-SUBSTITUTED-1-(2)-ISOQUINOLINONES AND INTERMEDIATE COMPOUND Valo Health, Inc. (US) 2024-07-24 EP disclosed
WO-2024030854-A1 PROCESS FOR PREPARING 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES AND INTERMEDIATE COMPOUND VALO HEALTH, INC. (US) 2024-02-08 WO disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
EP-1910333-A1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-16 EP disclosed
EP-1899322-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007012421-A1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 WO disclosed
WO-2007012421-A1 PIPERIDINYL-SUBSTITUTED ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 WO disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 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 (6 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 GPR119 1661/4885HRH3 3637/4885CHEK2 1893/4885
US-20240287031-A1 PROCESS FOR PREPARING 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES AND INTERMEDIATE COMPOUND ROCK1, ROCK2, CIT GPR119 3900/4885HRH3 2915/4885CHEK2 1095/4885
US-20250296923-A1 PROCESS FOR PREPARING 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES AND INTERMEDIATE COMPOUND ROCK1, ROCK2, CIT GPR119 3900/4885HRH3 2915/4885CHEK2 1095/4885
US-12612382-B2 Process for preparing 6-substituted-1-(2H)-isoquinolinones and intermediate compound ROCK1, RHOA, ABL1 GPR119 4002/4885HRH3 2299/4885CHEK2 881/4885
US-20240287030-A1 PROCESS FOR PREPARING 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES AND INTERMEDIATE COMPOUND ROCK1, ROCK2, CIT GPR119 3900/4885HRH3 2915/4885CHEK2 1095/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 GPR119 2425/4885HRH3 3122/4885CHEK2 1689/4885

“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.