SCHEMBL20554267

SCHEMBL20554267

COc1c(Oc2ccc(F)c(F)c2)ccc2c1OCCC2N

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
EPAS1 Q99814 1/20 0.32
FFAR1 O14842 2/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
DPP4 P27487 4/20 0.31
SOS1 Q07889 1/20 0.31
KDM1A O60341 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
GNG2 P59768 1/20 0.30
GNB1 P62873 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
SCHEMBL30132527 1.00 HTR2A (0.33) HTR2ASLC6A4EPAS1FFAR1HTR2C
SCHEMBL20554321 0.85 MAPT (0.35) HTR2ASLC6A4HTR2CHTR2BSLC6A2
SCHEMBL30132604 0.85 MAPT (0.35) HTR2ASLC6A4HTR2CHTR2BSLC6A2
SCHEMBL20554109 0.82 L3MBTL1 (0.41) HTR2ASLC6A4LMNA
SCHEMBL20554813 0.78 ALOX5AP (0.39)
SCHEMBL20554059 0.77 FGFR4 (0.34) FFAR1
SCHEMBL30132493 0.77 FGFR4 (0.34) FFAR1
SCHEMBL30132672 0.74 MAPK14 (0.39) HTR2AHTR2CHTR2BLMNAHPGD
SCHEMBL20554295 0.74 MAPK14 (0.39) HTR2AHTR2CHTR2BLMNAHPGD
SCHEMBL20554374 0.72 MAPT (0.36) HTR2ASLC6A4HTR2CHTR2BSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 EP 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 (6 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA HTR2A 1733/4885SLC6A4 2627/4885EPAS1 1513/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB HTR2A 1736/4885SLC6A4 2767/4885EPAS1 1533/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 HTR2A 1319/4885SLC6A4 2664/4885EPAS1 1326/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 HTR2A 1342/4885SLC6A4 2506/4885EPAS1 1263/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 HTR2A 1319/4885SLC6A4 2664/4885EPAS1 1326/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 HTR2A 1342/4885SLC6A4 2506/4885EPAS1 1263/4885

“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.