SCHEMBL3131999

SCHEMBL3131999

CN(C(=O)CNC(=O)c1cc(OCCCO)ccc1N)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
PYGL P06737 4/20 0.41
PDE3B Q13370 11/20 0.39
PDE3A Q14432 11/20 0.39
P2RY12 Q9H244 6/20 0.39
PDE2A O00408 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PDE5A O76074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PTAFR P25105 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL3131217 0.85 PYGL (0.39) PDE4APDE4BPDE4CPDE4DPYGL
SCHEMBL3132018 0.81 CCR2 (0.46)
SCHEMBL3133676 0.80 PYGL (0.47) PYGLKDM4EMEN1ALDH1A1HPGD
SCHEMBL3136843 0.76 SMN1; SMN2 (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL7412737 0.72 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7452118 0.69 BRAF (0.50) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7456229 0.69 PDE10A (0.47) ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL3136832 0.68 PPARG (0.41) ALDH1A1HPGDHSD17B10
SCHEMBL3131232 0.67 CCR2 (0.43)
SCHEMBL3131241 0.67 CCR2 (0.43)

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 PDE4A 346/4885PDE4B 412/4885PDE4C 386/4885

“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.