SCHEMBL3133787

SCHEMBL3133787

CCCNC(=O)CNC(=O)c1cc(OC[C@@H](C)CO)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.38
HTT P42858 1/20 0.37
GPR88 Q9GZN0 3/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP1 P03956 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35

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
SCHEMBL3131118 0.91 GCK (0.39) GCKHTTGPR88ALDH1A1TP53
SCHEMBL3130090 0.87 PSMB11 (0.40) GCKGPR88ALDH1A1TP53HPGD
SCHEMBL3130069 0.87 PSMB11 (0.40) GCKGPR88ALDH1A1TP53HPGD
SCHEMBL3131241 0.85 CCR2 (0.43) GCKGPR88CCR2
SCHEMBL3131232 0.85 CCR2 (0.43) GCKGPR88CCR2
SCHEMBL3131217 0.78 PYGL (0.39) GCKALDH1A1SMN1; SMN2KMT2ACCR2
SCHEMBL3134997 0.76 ALDH1A1 (0.44) GPR88ALDH1A1KMT2A
SCHEMBL3135014 0.76 ALDH1A1 (0.44) GPR88ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3134965 0.75 KMT2A (0.45) GPR88ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3134975 0.75 KMT2A (0.45) GPR88ALDH1A1KMT2A

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
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

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 1978/4885HTT 2569/4885GPR88 421/4885

“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.