SCHEMBL4429635

SCHEMBL4429635

FC(F)(F)c1cccc2c1C=Nc1ccccc1O2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.50
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
AXL P30530 1/20 0.34
KIF11 P52732 1/20 0.34
NOTUM Q6P988 2/20 0.33
PSMB8 P28062 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL5603316 0.74 CYP1A2 (0.37) TRPA1AXLKIF11NOTUMPSMB8
SCHEMBL311435 0.73 TRPA1 (0.55) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL1772874 0.73 TRPA1 (0.55) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL9232229 0.73 TRPA1 (0.55) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL1772872 0.73 TRPA1 (0.55) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL29893783 0.69 TRPA1 (0.50) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL1343228 0.69 TRPA1 (0.53) TRPA1MEN1MAPTHTTKMT2A
Dibenzo[B,F][1,4]Oxazepine SCHEMBL123289 0.67 TRPA1 (1.00) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL15011058 0.67 AXL (0.34) KMT2AAXLKIF11CYP1A2CYP2D6
Dibenzo[B,F][1,4]Oxazepine SCHEMBL30601896 0.66 TRPA1 (0.96) TRPA1MEN1MAPTHTTKMT2A

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
WO-2021119183-A1 TRICYCLIC COMPOUNDS WITH OMA1/OPA1 MODULATORY PROPERTIES 712 NORTH, INC. (US) 2021-06-17 WO disclosed
US-7517871-B2 Amino substituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders ACADIA PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders EK FREDRIK 2006-09-07 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-20060199798-A1 Amino bustituted diaryl[a,d]cycloheptene analogs as muscarinic agonists and methods of treatment of neuropsychiatric disorders OPRL1, CHRM4, CNR1 TRPA1 1239/4885MEN1 3032/4885MAPT 3640/4885

“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.