SCHEMBL1687140

SCHEMBL1687140

COc1cccc(-c2cc3ccc(O)cc3c(=O)n2CC(=O)NC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 15/20 0.51
TP53 P04637 1/20 0.43
MIF P14174 1/20 0.43
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL1687230 0.88 AVPR1B (0.48) AVPR1BMAPT
SCHEMBL1687285 0.87 MIF (0.42) AVPR1BTP53MIFFPR1FPR2
SCHEMBL1687282 0.86 AVPR1B (0.49) AVPR1BTRPV1
SCHEMBL1687300 0.86 AVPR1B (0.51) AVPR1B
SCHEMBL1687136 0.85 AVPR1B (0.52) AVPR1B
SCHEMBL1687403 0.84 AVPR1B (0.53) AVPR1B
SCHEMBL1687401 0.83 AVPR1B (0.56) AVPR1B
SCHEMBL3136602 0.83 AVPR1B (0.73) AVPR1B
SCHEMBL1687398 0.82 AVPR1B (0.51) AVPR1B
SCHEMBL1687399 0.82 AVPR1B (0.51) 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 3 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
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-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 1097/4885TP53 1031/4885MIF 2975/4885

“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.