SCHEMBL20554658

SCHEMBL20554658

O=C1CCOc2c1ccc(OCc1ccccc1)c2F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.55
GRM5 P41594 8/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAOA P21397 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL30132594 1.00 MAOB (0.55) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL12316589 0.85 MRGPRX4 (0.57) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL6836494 0.83 MAOB (0.55) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905906 0.78 MAOB (0.57) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905977 0.76 MAOB (0.61) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL7946778 0.76 MAOB (0.64) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905958 0.75 GRM5 (0.47) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL30665359 0.74 LMNA (0.38) MAOBGRM5ALDH1A1HPGDMAOA
SCHEMBL26615220 0.74 LMNA (0.38) MAOBGRM5ALDH1A1HPGDMAOA
SCHEMBL23905175 0.72 MRGPRX4 (0.47) MAOBGRM5NPC1ALDH1A1HPGD

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 3240/4885GRM5 1244/4885NPC1 940/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB MAOB 3184/4885GRM5 1075/4885NPC1 1041/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAOB 3552/4885GRM5 1006/4885NPC1 1218/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 MAOB 3686/4885GRM5 1212/4885NPC1 1039/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAOB 3552/4885GRM5 1006/4885NPC1 1218/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 MAOB 3686/4885GRM5 1212/4885NPC1 1039/4885

“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.