SCHEMBL2459751

SCHEMBL2459751

COc1cc(OC)cc(-c2nc3ccc(N4CCN5CCC4CC5)cc3c(=O)n2CC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 18/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.37

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
SCHEMBL2462374 0.90 AVPR1B (0.42) AVPR1BCHRNA7
SCHEMBL2456377 0.88 AVPR1B (0.45) AVPR1BCYP1A2CYP2C9CYP2C19CHRNA7
SCHEMBL2463488 0.85 AVPR1A (0.38) AVPR1BCYP1A2CYP2C9CYP2C19CHRNA7
SCHEMBL2459074 0.85 AVPR1B (0.55) AVPR1B
SCHEMBL6888018 0.83 CHRNA7 (0.38) CYP1A2CYP2C9CYP2C19CHRNA7
SCHEMBL2465487 0.79 AVPR1B (0.63) AVPR1B
SCHEMBL2458959 0.77 AVPR1B (0.48) AVPR1BCHRNA7
SCHEMBL2459733 0.76 AVPR1B (0.49) AVPR1B
SCHEMBL6889148 0.75 AVPR1B (0.56) AVPR1B
SCHEMBL2487656 0.75 AVPR1B (0.48) 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-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed
US-7820649-B2 Quinazolinone and isoquinolinone acetamide derivatives N.V. ORGANON (NL) 2010-10-26 US disclosed
US-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-04-17 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-20080090802-A1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES NQO2, GATD3, SDHA AVPR1B 839/4885CYP1A2 88/4885CYP2C9 113/4885

“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.