SCHEMBL13328933

SCHEMBL13328933

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CN(C(=O)Oc1ccc([N+](=O)[O-])cc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.56
FAAH O00519 4/20 0.49
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL13249803 0.93 MGLL (0.56) MGLLFAAHTRPV1
SCHEMBL13328913 0.91 MGLL (0.47) MGLLFAAHTRPV1
SCHEMBL13328918 0.90 MGLL (0.42) MGLLFAAHTRPV1
SCHEMBL13328927 0.89 MGLL (0.42) MGLLFAAHTRPV1
SCHEMBL13328962 0.88 MGLL (0.41) MGLLFAAHTRPV1
SCHEMBL13328920 0.88 MGLL (0.41) MGLLFAAHTRPV1
SCHEMBL13328926 0.88 PRLHR (0.44) MGLL
SCHEMBL13328953 0.87 MGLL (0.40) MGLL
SCHEMBL13328946 0.86 MEN1 (0.42) MGLL
SCHEMBL13249795 0.83 MGLL (0.47) MGLLFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 MGLL 1341/4885FAAH 2045/4885TRPV1 752/4885

“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.