SCHEMBL20554131

SCHEMBL20554131

O=C1CCOc2c(Oc3ccc(C(F)(F)F)cc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.36
MAOA P21397 3/20 0.36
GRM5 P41594 3/20 0.35
KIF11 P52732 1/20 0.34
SCN9A Q15858 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TRPM8 Q7Z2W7 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 0.84 SLC6A4 (0.38) MAOBMAOAGRM5RAB9A
SCHEMBL20554397 0.84 MAOB (0.38) MAOBMAOAGRM5RAB9A
SCHEMBL20554324 0.83 MAOB (0.44) MAOBGRM5MTNR1AMTNR1BHPGD
SCHEMBL13506173 0.82 KMT2A (0.49) GRM5SCN9AHPGDSMN1; SMN2NPSR1
SCHEMBL20554632 0.81 HPGD (0.39) SCN9AMTNR1AMTNR1BHPGDNPC1
SCHEMBL30132575 0.81 HPGD (0.39) SCN9AMTNR1AMTNR1BHPGDNPC1
SCHEMBL20554631 0.81 HPGD (0.39) SCN9AMTNR1AMTNR1BHPGDNPC1
SCHEMBL20554264 0.81 RAB9A (0.40) MAOBMAOAHPGDALDH1A1RAB9A
SCHEMBL2319086 0.78 ALDH1A1 (0.36) MAOBGRM5SCN9AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL20554868 0.76 DRD2 (0.34) MAOBMAOASCN9ARAB9A

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.