SCHEMBL4178085

SCHEMBL4178085

O=C1CCC(=O)N1Cc1cccc(-c2ccc3nc(NCc4ccccc4)nc(NC4CC4)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
NPR1 P16066 15/20 0.46
EGLN1 Q9GZT9 1/20 0.43
TRIM58 Q8NG06 1/20 0.42
AVPR1B P47901 1/20 0.42
KDM1A O60341 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
RCOR1 Q9UKL0 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
SCHEMBL4168721 0.92 NPR1 (0.48) APPBCHEACHENPR1EGLN1
SCHEMBL4184947 0.90 PDE5A (0.47) NPR1EGLN1AVPR1B
SCHEMBL4184720 0.90 NSD2 (0.49) NPR1TRIM58
SCHEMBL4182349 0.88 LMNA (0.53) NPR1EGLN1AVPR1B
SCHEMBL4180714 0.86 EGLN1 (0.44) NPR1EGLN1AVPR1B
SCHEMBL4186187 0.86 NPR1 (0.45) NPR1EGLN1AVPR1B
SCHEMBL4184096 0.86 NSD2 (0.46) NPR1EGLN1AVPR1B
SCHEMBL4173222 0.83 NSD2 (0.49) NPR1EGLN1AVPR1BKDM1AEHMT2
SCHEMBL4188225 0.83 TLR7 (0.50) NPR1EGLN1AVPR1B
SCHEMBL4177505 0.83 NPR1 (0.44) NPR1EGLN1AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US claimed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP claimed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 WO claimed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 APP 2173/4885BCHE 1821/4885ACHE 2115/4885

“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.