SCHEMBL1687336

SCHEMBL1687336

CC(C)(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cc2ccc(OCCCN3CCC(O)CC3)cc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 19/20 0.61
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL1687377 0.93 AVPR1B (0.71) AVPR1B
SCHEMBL1687415 0.89 AVPR1B (0.62) AVPR1B
SCHEMBL1687256 0.83 AVPR1B (0.62) AVPR1B
SCHEMBL1687423 0.83 AVPR1B (0.74) AVPR1B
SCHEMBL1687302 0.82 AVPR1B (0.75) AVPR1B
SCHEMBL1687261 0.82 AVPR1B (0.58) AVPR1B
SCHEMBL1687365 0.81 AVPR1B (0.59) AVPR1B
SCHEMBL1687416 0.80 AVPR1B (0.53) AVPR1B
SCHEMBL1687395 0.79 AVPR1B (0.64) AVPR1B
SCHEMBL3105263 0.79 AVPR1B (0.83) AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066640-B1 2-(1-OXO-1H-ISOQUINOLIN-2-YL) ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
EP-2066640-B1 2-(1-OXO-1H-ISOQUINOLIN-2-YL) ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7906504-B2 N-tert-Butyl-2-[3-(4-fluoro-3-methoxyphenyl)-1-oxo-7-(3-pyrrolidin-1-ylpropoxy)-1H-isoquinolin-2-yl]acetamide; 2-[3-(3-Chlorophenyl)-7-((S)-2-methyl-3-pyrrolidin-1-ylpropoxy)-1-oxo-1H-isoquinolin-2-yl]-N-isopropylacetamide; antidepressants; hypothalamo-pituitary-adrenal axis modulators N.V. ORGANON (NL) 2011-03-15 US disclosed
US-7906504-B2 N-tert-Butyl-2-[3-(4-fluoro-3-methoxyphenyl)-1-oxo-7-(3-pyrrolidin-1-ylpropoxy)-1H-isoquinolin-2-yl]acetamide; 2-[3-(3-Chlorophenyl)-7-((S)-2-methyl-3-pyrrolidin-1-ylpropoxy)-1-oxo-1H-isoquinolin-2-yl]-N-isopropylacetamide; antidepressants; hypothalamo-pituitary-adrenal axis modulators N.V. ORGANON (NL) 2011-03-15 US disclosed
US-7906504-B2 N-tert-Butyl-2-[3-(4-fluoro-3-methoxyphenyl)-1-oxo-7-(3-pyrrolidin-1-ylpropoxy)-1H-isoquinolin-2-yl]acetamide; 2-[3-(3-Chlorophenyl)-7-((S)-2-methyl-3-pyrrolidin-1-ylpropoxy)-1-oxo-1H-isoquinolin-2-yl]-N-isopropylacetamide; antidepressants; hypothalamo-pituitary-adrenal axis modulators N.V. ORGANON (NL) 2011-03-15 US disclosed
WO-2008033757-A2 2-(1-OXO-1H-ISOQUINOLIN-2-YL) ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 WO disclosed
US-20080064678-A1 2-(1-OXO-1H-ISOQUINOLIN-2-YL)ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-13 US disclosed
US-20080064678-A1 2-(1-OXO-1H-ISOQUINOLIN-2-YL)ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-13 US disclosed
US-20080064678-A1 2-(1-OXO-1H-ISOQUINOLIN-2-YL)ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-13 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 (1 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-20080064678-A1 2-(1-OXO-1H-ISOQUINOLIN-2-YL)ACETAMIDE DERIVATIVES SULT2A1, ACAT2, HDAC6 AVPR1B 1097/4885SIGMAR1 588/4885

“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.