SCHEMBL20554690

SCHEMBL20554690

NC1CCOc2c1ccc(O)c2F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.31
ACHE P22303 1/20 0.31
DRD1 P21728 2/20 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
Hydrochloric Acid SCHEMBL1162885 0.81 HTR2C (0.35) ADRA2A
SCHEMBL23976501 0.80 KDM1A (0.45) ADRA2A
Hydrochloric Acid SCHEMBL20554884 0.79 MAP3K14 (0.34) ADRA2A
Hydrochloric Acid SCHEMBL20554748 0.79 ADRA2A (0.30) ADRA2A
Bromide SCHEMBL20554328 0.78 ACHE (0.43) ADRA2AACHE
Bromide SCHEMBL29540950 0.78 ACHE (0.43) ADRA2AACHE
SCHEMBL1265342 0.76 ADRA2A (0.50) ADRA2A
SCHEMBL1266132 0.76 ADRA2A (0.50) ADRA2A
SCHEMBL1265344 0.76 ADRA2A (0.50) ADRA2A
Hydrochloric Acid SCHEMBL20554085 0.75 ACHE (0.32) ADRA2AACHEDRD1

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 ADRA2A 51/4885ACHE 3426/4885DRD1 591/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB ADRA2A 76/4885ACHE 3669/4885DRD1 594/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ADRA2A 95/4885ACHE 3830/4885DRD1 699/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 ADRA2A 54/4885ACHE 3577/4885DRD1 725/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 ADRA2A 95/4885ACHE 3830/4885DRD1 699/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 ADRA2A 54/4885ACHE 3577/4885DRD1 725/4885

“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.