SCHEMBL3132018

SCHEMBL3132018

Nc1ccc(OCCCO)cc1C(=O)NCC(=O)NCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.46
CNR2 P34972 5/20 0.43
CNR1 P21554 4/20 0.43
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
AVPR1B P47901 6/20 0.39
POLB P06746 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL3131241 0.83 CCR2 (0.43) CCR2CNR2CNR1F10PRSS1
SCHEMBL3131232 0.83 CCR2 (0.43) CCR2CNR2CNR1F10PRSS1
SCHEMBL3131999 0.81 PDE4A (0.42)
SCHEMBL3136843 0.80 SMN1; SMN2 (0.43) CCR2
SCHEMBL3133689 0.79 CCR2 (0.52) CCR2CNR2CNR1F10PRSS1
SCHEMBL3127646 0.74 BMPR1B (0.56) CCR2AVPR1B
SCHEMBL4845927 0.71 CHRM1 (0.58) CCR2
SCHEMBL4848105 0.71 CCR2 (0.48) CCR2F10PRSS1
SCHEMBL3134043 0.70 BMPR1B (0.56) CCR2AVPR1B
SCHEMBL3134179 0.70 HRH3 (0.54) POLB

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 CCR2 1973/4885CNR2 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.