SCHEMBL4941683

SCHEMBL4941683

O=C(O)N1CC=C(c2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
ALOX15 P16050 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
TRPV1 Q8NER1 4/20 0.44
KMO O15229 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13993113 0.83 NAMPT (0.53) QDPR
SCHEMBL3039806 0.82 QDPR (0.46) QDPRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL29071738 0.82 QDPR (0.44) QDPRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5376869 0.82 MAPT (0.50) QDPRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL14563065 0.81 ALDH1A1 (0.48) QDPRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL15532362 0.79 QDPR (0.48) QDPRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4776359 0.79 MAPT (0.50) QDPRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16422318 0.79 QDPR (0.51) QDPRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL4602817 0.79 ALDH1A1 (0.66) QDPRMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL22324771 0.79 QDPR (0.61) QDPRMAPTALDH1A1SMN1; SMN2NPC1

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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 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-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B QDPR 557/4885MAPT 1620/4885ALDH1A1 1887/4885

“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.