SCHEMBL4909360

SCHEMBL4909360

O=C1CNC(=O)N1CC=Cc1ccc(Nc2ccc(F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
MEN1 O00255 2/20 0.39
ALOX12 P18054 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PRKAA2 P54646 3/20 0.36
MLNR O43193 1/20 0.35
CYP2D6 P10635 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK10 P53779 1/20 0.33
BPTF Q12830 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4909349 1.00 GRM5 (0.42) GRM5CHRNB4CHRNA3MEN1ALOX12
Trifluoroacetic Acid SCHEMBL3879936 0.92 GRM5 (0.41) GRM5CHRNB4CHRNA3MEN1ALOX12
Trifluoroacetic Acid SCHEMBL3879928 0.92 GRM5 (0.41) GRM5CHRNB4CHRNA3MEN1ALOX12
SCHEMBL4911752 0.81 NPC1 (0.39) MEN1KMT2AMLNRCYP2D6LMNA
SCHEMBL4911748 0.81 NPC1 (0.39) MEN1KMT2AMLNRCYP2D6LMNA
Trifluoroacetic Acid SCHEMBL3872908 0.74 NPC1 (0.39) KDM4EMLNRSMN1; SMN2NPC1GRM2
Trifluoroacetic Acid SCHEMBL3872911 0.74 NPC1 (0.39) KDM4EMLNRSMN1; SMN2NPC1GRM2
SCHEMBL3879932 0.74 GRM5 (0.37) GRM5CHRNB4CHRNA3MEN1ALOX12
SCHEMBL4919703 0.74 GRM2 (0.39) GRM2
SCHEMBL4919710 0.74 GRM2 (0.39) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-10 US claimed

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-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 GRM5 1904/4885CHRNB4 3109/4885CHRNA3 1464/4885

“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.