SCHEMBL20554141

SCHEMBL20554141

OC1CCCc2ncc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.38
GRM5 P41594 3/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
MAP3K14 Q99558 1/20 0.33
PYGL P06737 1/20 0.32

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
SCHEMBL15309331 0.79 UGT2B17 (0.38) UGT2B17GRM5CYP11B1CYP11B2
SCHEMBL10376874 0.79 UGT2B17 (0.53) UGT2B17GRM5CYP11B1CYP11B2
SCHEMBL29923929 0.76 UGT2B17 (0.38) UGT2B17GRM5
SCHEMBL20554599 0.74 ALDH1A1 (0.39) CYP11B1CYP11B2
SCHEMBL20554466 0.72
SCHEMBL29649344 0.71 CYP11B1 (0.38) UGT2B17GRM5CYP11B1CYP11B2
SCHEMBL15309542 0.71 GRM5 (0.60) GRM5
SCHEMBL24387456 0.68 UGT2B17 (0.51) UGT2B17CYP11B1CYP11B2MAP3K14
SCHEMBL17942174 0.68 CYP11B1 (0.34) CYP11B1CYP11B2
SCHEMBL6026462 0.68 MAP3K14 (0.45) UGT2B17MAP3K14PYGL

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 UGT2B17 1723/4885GRM5 1244/4885CYP11B1 885/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB UGT2B17 1643/4885GRM5 1075/4885CYP11B1 917/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 UGT2B17 1686/4885GRM5 1006/4885CYP11B1 744/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 UGT2B17 1739/4885GRM5 1212/4885CYP11B1 697/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 UGT2B17 1686/4885GRM5 1006/4885CYP11B1 744/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 UGT2B17 1739/4885GRM5 1212/4885CYP11B1 697/4885

“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.