SCHEMBL13249797

SCHEMBL13249797

Cc1ccc(OC(=O)N2CCc3c(nc(C)n(C(c4ccccc4)c4ccccc4)c3=O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
TRPV1 Q8NER1 6/20 0.41
FAAH O00519 3/20 0.41
USP2 O75604 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
BCHE P06276 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RECQL P46063 1/20 0.36
PDE10A Q9Y233 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 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
SCHEMBL13249795 0.95 MGLL (0.47) MGLLTRPV1FAAHUSP2CYP1A2
SCHEMBL13249800 0.93 MGLL (0.42) MGLLTRPV1FAAHUSP2CYP1A2
SCHEMBL13249804 0.93 MGLL (0.41) MGLLTRPV1FAAHUSP2CYP1A2
SCHEMBL13249814 0.93 MGLL (0.41) MGLLTRPV1FAAHUSP2CYP1A2
SCHEMBL13249801 0.93 MGLL (0.41) MGLLTRPV1FAAHUSP2CYP1A2
SCHEMBL13328918 0.92 MGLL (0.42) MGLLTRPV1FAAHUSP2CYP1A2
SCHEMBL13250415 0.91 MGLL (0.40) MGLLTRPV1FAAHUSP2CYP1A2
SCHEMBL13249945 0.90 LIPE (0.43) MGLLTRPV1FAAHCACNA2D1CACNB1
SCHEMBL13249942 0.90 MGLL (0.39) MGLLTRPV1FAAHUSP2CYP1A2
SCHEMBL13249803 0.90 MGLL (0.56) MGLLTRPV1FAAH

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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 MGLL 882/4885TRPV1 632/4885FAAH 1561/4885

“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.