SCHEMBL5670548

SCHEMBL5670548

CCc1ccccc1[NH3+].Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MGLL Q99685 1/20 0.32
HTT P42858 1/20 0.31
NPEPPS P55786 1/20 0.30
PSIP1 O75475 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KAT6A Q92794 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
SCHEMBL3695186 0.84 GABRA1 (0.34) GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL30386281 0.84 GABRA1 (0.38) GABRA1GABRB2MGLLHTTPSIP1
SCHEMBL3752108 0.82 LIPG (0.44) HTTMAPT
SCHEMBL27530315 0.82 GABRA1 (0.39) GABRA1GABRB2MGLLHTTNPEPPS
SCHEMBL17728688 0.77 GABRA1 (0.35) GABRA1GABRB2MGLLHTTNPEPPS
O-Tolylamine SCHEMBL578081 0.77 ACHE (0.38) HTT
SCHEMBL5703339 0.76 GABRA1 (0.32) GABRA1GABRB2MGLLHTT
SCHEMBL6065924 0.75 MAPT (0.32) GABRA1GABRB2MGLLMAPTNPSR1
SCHEMBL8965995 0.75 TYR (0.31)
SCHEMBL5600458 0.74 GABRA1 (0.38) GABRA1GABRB2KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760814-B2 1,5 diazabicyclooctane ligand systems and methods therewith EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-09-19 US claimed
US-20210032449-A1 Polyethylene Copolymer and Method for Preparing Same LG CHEM, LTD. (KR) 2021-02-04 US disclosed
EP-1730203-A1 CATALYST COMPOSITION AND USE THEREOF ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2006-12-13 EP disclosed
WO-2005095469-A1 CATALYST COMPOSITION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-10-13 WO 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-11760814-B2 1,5 diazabicyclooctane ligand systems and methods therewith ODC1, DDT, OXGR1 GABRA1 2978/4885GABRB2 2861/4885MGLL 817/4885

“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.