SCHEMBL21401166

SCHEMBL21401166

Cc1c(F)cccc1C(O)c1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.56
ADRA2B P18089 10/20 0.56
ADRA2C P18825 10/20 0.56
ADRA1A P35348 7/20 0.56
ADRA1B P35368 6/20 0.56
ADRA1D P25100 6/20 0.56
KCNH2 Q12809 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC6A2 P23975 1/20 0.52
HTR7 P34969 1/20 0.52
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL21401173 0.84 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL21401161 0.84 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL21401165 0.81 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3064400 0.79 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL27905456 0.79 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3051753 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2626831 0.74 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2626809 0.74 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2626832 0.74 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2626795 0.73 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1AADRA1B

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
US-20210206727-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS UNIV OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2021-07-08 US disclosed
US-10766866-B2 Deterrents for arthropods and marine organisms UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2020-09-08 US disclosed
US-20190292156-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH 2019-09-26 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 (3 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-10766866-B2 Deterrents for arthropods and marine organisms ALG1, NISCH, ALG8 ADRA2A 1749/4885ADRA2B 3315/4885ADRA2C 1733/4885
US-20210206727-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS ALG1, ALG8, DDT ADRA2A 1871/4885ADRA2B 3416/4885ADRA2C 1878/4885
US-20190292156-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS ALG1, NISCH, ALG8 ADRA2A 1749/4885ADRA2B 3315/4885ADRA2C 1733/4885

“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.