SCHEMBL20554397

SCHEMBL20554397

O=C1CCOc2c1ccc(Oc1ccc(C(F)(F)F)cc1)c2F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.38
MAOA P21397 3/20 0.38
GRM5 P41594 2/20 0.36
SCN8A Q9UQD0 3/20 0.35
SCN10A Q9Y5Y9 3/20 0.35
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20554314 0.88 SLC6A4 (0.38) MAOBMAOAGRM5RAB9AL3MBTL1
SCHEMBL20554850 0.85 MAOB (0.45) MAOBMAOAGRM5RAB9ALTB4R
SCHEMBL30132570 0.85 MAOB (0.45) MAOBMAOAGRM5RAB9ALTB4R
SCHEMBL20554264 0.84 RAB9A (0.40) MAOBMAOARAB9AL3MBTL1LTB4R
SCHEMBL20554131 0.84 MAOB (0.36) MAOBMAOAGRM5RAB9A
SCHEMBL30665359 0.79 LMNA (0.38) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL26615220 0.79 LMNA (0.38) MAOBMAOAGRM5LTB4RLTB4R2
SCHEMBL30132637 0.75 MAOB (0.52) MAOBMAOAGRM5RAB9A
SCHEMBL20554219 0.75 MAOB (0.52) MAOBMAOAGRM5RAB9A
SCHEMBL13506258 0.74 MAOB (0.38) MAOBMAOAGRM5LTB4RLTB4R2

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 MAOB 3240/4885MAOA 3301/4885GRM5 1244/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB MAOB 3184/4885MAOA 3131/4885GRM5 1075/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAOB 3552/4885MAOA 3332/4885GRM5 1006/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 MAOB 3686/4885MAOA 3585/4885GRM5 1212/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAOB 3552/4885MAOA 3332/4885GRM5 1006/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 MAOB 3686/4885MAOA 3585/4885GRM5 1212/4885

“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.