SCHEMBL4949117

SCHEMBL4949117

Cc1cccc([I+]c2cccc(C)c2)c1.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
HTR2C P28335 3/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL30540395 0.94 ACHE (0.42) ACHEALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL31477910 0.91 ACHE (0.58) ACHEALDH1A1MAPK1CYP1A2CYP3A4
M-Xylene SCHEMBL19915253 0.78 ACHE (0.71) ACHEALDH1A1MAPK1CYP1A2CYP3A4
M-Xylene SCHEMBL909803 0.75 ACHE (0.67) ACHEALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL29466733 0.74 ACHE (0.44) ACHEALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL9608258 0.74 ACHE (0.39) ACHEALDH1A1MAPK1CYP1A2MAPT
M-Xylene SCHEMBL28034890 0.73 ACHE (0.63) ACHEALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL2890615 0.73 KDM1A (0.39) ALDH1A1MAPK1HTR2CTP53MEN1
SCHEMBL1054644 0.73 ACHE (0.43) ACHEALDH1A1CYP2D6MAPTHTT
SCHEMBL2898174 0.73 ALDH1A1 (0.39) ALDH1A1MAPTHTR2CHTR3EHTR3B

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-20080312240-A1 Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 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 (2 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-20080312240-A1 Bicyclic Piperazines as Metabotropic Glutatmate Receptor Antagonists GRM5, GRM1, GRIN1 ACHE 3023/4885ALDH1A1 769/4885MAPK1 1359/4885
US-20070037816-A1 Bicyclic piperazines as metabotropic glutatmate receptor antagonists GRM5, GRM1, GRIN1 ACHE 3023/4885ALDH1A1 769/4885MAPK1 1359/4885

“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.