SCHEMBL20554359

SCHEMBL20554359

NCC1CCOc2cc(Oc3ccc(Cl)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.48
MAP3K14 Q99558 1/20 0.43
KDM4C Q9H3R0 3/20 0.43
MAOB P27338 2/20 0.42
HTR1A P08908 1/20 0.39
FFAR1 O14842 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36

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
SCHEMBL30132673 1.00 PTGDR2 (0.48) PTGDR2MAP3K14KDM4CMAOBHTR1A
SCHEMBL17361600 0.88 KDM4C (0.53) PTGDR2KDM4CMAOBHTR1AFFAR1
SCHEMBL15818611 0.84 MAP3K14 (0.59) MAP3K14KDM4C
Hydrochloric Acid SCHEMBL9465292 0.83 MAP3K14 (0.58) MAP3K14KDM4C
Hydrochloric Acid SCHEMBL30299284 0.83 MAP3K14 (0.58) MAP3K14KDM4C
SCHEMBL30132538 0.82 PTGDR2 (0.47) PTGDR2MAP3K14KDM4CMAOB
SCHEMBL20554628 0.82 PTGDR2 (0.47) PTGDR2MAP3K14KDM4CMAOB
SCHEMBL8103275 0.81 HTR1A (0.56) KDM4CHTR1A
SCHEMBL20554061 0.80 MAP3K14 (0.70) PTGDR2MAP3K14KDM4CMAOB
Hydrochloric Acid SCHEMBL8112970 0.80 HTR1A (0.55) KDM4CHTR1A

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 PTGDR2 510/4885MAP3K14 4297/4885KDM4C 3485/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB PTGDR2 568/4885MAP3K14 4207/4885KDM4C 3213/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PTGDR2 758/4885MAP3K14 4110/4885KDM4C 2522/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 PTGDR2 673/4885MAP3K14 4241/4885KDM4C 2968/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 PTGDR2 758/4885MAP3K14 4110/4885KDM4C 2522/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 PTGDR2 673/4885MAP3K14 4241/4885KDM4C 2968/4885

“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.