SCHEMBL3132771

SCHEMBL3132771

CC(C)C(NC(=O)c1cc(OC[C@@H](C)CO)ccc1N)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.40
CNR2 P34972 4/20 0.37
CNR1 P21554 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGDS O60760 1/20 0.37
SCN9A Q15858 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
GPR88 Q9GZN0 4/20 0.35
MAPT P10636 2/20 0.35
SYK P43405 1/20 0.35
PPARG P37231 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL3136832 0.85 PPARG (0.41) GCKCNR2CNR1NPSR1HPGDS
SCHEMBL3134997 0.79 ALDH1A1 (0.44) GPR88MAPT
SCHEMBL3135014 0.79 ALDH1A1 (0.44) GPR88MAPT
SCHEMBL3130069 0.79 PSMB11 (0.40) GCKGPR88TP53GAASMN1; SMN2
SCHEMBL3130090 0.79 PSMB11 (0.40) GCKGPR88TP53GAASMN1; SMN2
Hydrochloric Acid SCHEMBL3134965 0.78 KMT2A (0.45) GPR88MAPT
Hydrochloric Acid SCHEMBL3134975 0.78 KMT2A (0.45) GPR88MAPT
SCHEMBL3131118 0.76 GCK (0.39) GCKGPR88MAPTNPC1TP53
SCHEMBL3131254 0.75 HPGDS (0.53) CNR2CNR1HPGDSSCN9ANPC1
SCHEMBL3133787 0.75 GCK (0.38) GCKGPR88TP53HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807686-B2 2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists N.V. ORGANON (NL) 2010-10-05 US disclosed
EP-1861380-B1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS ORGANON NV (NL) 2010-07-07 EP disclosed
US-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists MERCK SHARP & DOHME B.V. (NL) 2008-09-04 US disclosed
EP-1861380-A1 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. Organon (NL) 2007-12-05 EP disclosed
WO-2006095014-A1 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS N.V. ORGANON (NL) 2006-09-14 WO 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-20080214553-A1 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists AVPR2, AVPR1A, AVPR1B GCK 1978/4885CNR2 169/4885CNR1 325/4885

“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.