SCHEMBL1805674

SCHEMBL1805674

O=C1CCOc2ccc(-c3ccc4c(c3)C(=O)NC[C@@H]3CN(C(=O)O)C[C@@H]43)cc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MET P08581 4/20 0.33
GRM5 P41594 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
GSK3B P49841 1/20 0.31
FABP6 P51161 1/20 0.30

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
SCHEMBL1805673 1.00 MAOA (0.34) MAOAMAOBMETGRM5GPR119
SCHEMBL1805676 1.00 MAOA (0.34) MAOAMAOBMETGRM5GPR119
SCHEMBL1807031 0.85 FABP6 (0.34) MAOAMAOBMETFABP6
SCHEMBL1807033 0.85 FABP6 (0.34) MAOAMAOBMETFABP6
SCHEMBL1807030 0.85 FABP6 (0.34) MAOAMAOBMETFABP6
SCHEMBL861643 0.84 PBRM1 (0.34) METGSK3B
SCHEMBL1805517 0.81 MAOB (0.36) MAOAMAOBMETGRM5GSK3B
SCHEMBL1805520 0.81 MAOB (0.36) MAOAMAOBMETGRM5GSK3B
SCHEMBL1805518 0.81 MAOB (0.36) MAOAMAOBMETGRM5GSK3B
SCHEMBL861829 0.81 HDAC2 (0.40)

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
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C MAOA 67/4885MAOB 56/4885MET 789/4885

“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.