SCHEMBL22244282

SCHEMBL22244282

CC(C)(C)C1Cc2ccccc2C=N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
IDO1 P14902 2/20 0.31
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 2/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
BCHE P06276 1/20 0.30
CHRM5 P08912 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
NFKB1 P19838 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
SCHEMBL7310501 0.81 PNMT (0.37) TRPA1CYP19A1CYP11B1CYP11B2IDO1
Hydrochloric Acid SCHEMBL11781894 0.80 PNMT (0.36) TRPA1IDO1
SCHEMBL5008439 0.79 NOS3 (0.43) TRPA1CYP19A1CYP11B1CYP11B2IDO1
SCHEMBL31303677 0.79 NOS3 (0.43) TRPA1CYP19A1CYP11B1CYP11B2IDO1
SCHEMBL22244077 0.76 HTR2C (0.33)
SCHEMBL21175952 0.74 ACHE (0.38) CYP19A1CYP11B1
SCHEMBL18464841 0.71 TRPA1 (0.38) TRPA1CYP19A1CYP11B1CYP11B2IDO1
SCHEMBL7508347 0.70 KDM4E (0.36) TRPA1CYP19A1CYP11B1CYP11B2IDO1
SCHEMBL21327268 0.70 HTR2C (0.40) L3MBTL1MAPK1
SCHEMBL4130355 0.68 NOS3 (0.46) TRPA1CYP3A4CYP2D6CYP2C19PRCP

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-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use AMGEN INC. (US) 2021-06-01 US disclosed
US-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2020-07-23 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-20200231601-A1 1,4-THIAZINE DIOXIDE AND 1,2,4-THIADIAZINE DIOXIDE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP TRPA1 1725/4885CYP19A1 518/4885CYP11B1 680/4885
US-11021493-B2 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use BACE1, BACE2, APP TRPA1 1725/4885CYP19A1 518/4885CYP11B1 680/4885

“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.