SCHEMBL2463535

SCHEMBL2463535

CC(C)N1CCCN(c2ccc3nc(-c4ccc(F)c(Cl)c4)n(CC(=O)O)c(=O)c3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.45
GHSR Q92847 2/20 0.41
CYP2D6 P10635 2/20 0.41
AVPR1A P37288 8/20 0.41
ENPP2 Q13822 2/20 0.40
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL2461786 0.92 AVPR1B (0.55) AVPR1BAVPR1A
SCHEMBL2459935 0.90 AVPR1B (0.52) AVPR1BAVPR1AENPP2
SCHEMBL2456745 0.90 AVPR1B (0.49) AVPR1BAVPR1AENPP2
SCHEMBL2462604 0.90 AVPR1B (0.41) AVPR1BGHSRCYP2D6AVPR1AENPP2
SCHEMBL2458707 0.90 AVPR1B (0.55) AVPR1BAVPR1A
SCHEMBL2456073 0.89 AVPR1A (0.52) AVPR1BAVPR1AENPP2
SCHEMBL2458845 0.89 AVPR1B (0.55) AVPR1BAVPR1A
SCHEMBL2465281 0.88 AVPR1B (0.45) AVPR1BAVPR1AENPP2
SCHEMBL2464120 0.88 AVPR1B (0.45) AVPR1BAVPR1AENPP2
SCHEMBL2458790 0.86 AVPR1B (0.53) AVPR1BAVPR1A

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 839/4885GHSR 3804/4885CYP2D6 81/4885

“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.