SCHEMBL20554266

SCHEMBL20554266

C=CC(=O)NCc1ccc(OCC2CCC(F)(F)CC2)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.40
▸ PDE4D Q08499 3/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ SCN9A Q15858 3/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ PKM P14618 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL20554317 0.85 PDE4D (0.47) P2RX7PDE4D
SCHEMBL20554492 0.76 ITK (0.37) P2RX7BRD4BCHEACHE
SCHEMBL20554482 0.74 HSP90AA1 (0.40) P2RX7PDE4DBRD4KDM5AKDM4C
SCHEMBL24968530 0.73 MAPK3 (0.43) PDE4DSCN9ASCN5A
SCHEMBL20554346 0.73 CTSB (0.48) PDE4DBRD4
SCHEMBL31625458 0.73 KDM4E (0.56) BRD4
SCHEMBL20554396 0.73 PDE4D (0.47) PDE4D
SCHEMBL20554730 0.73 TGM2 (0.47) BRD4PKMBCHEACHE
SCHEMBL20554778 0.73 BRD4 (0.42) BRD4PKM
SCHEMBL20554101 0.72 BRD4 (0.47) P2RX7BRD4

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 P2RX7 730/4885PDE4D 4537/4885BRD4 859/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB P2RX7 605/4885PDE4D 4580/4885BRD4 757/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 P2RX7 388/4885PDE4D 4600/4885BRD4 555/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 P2RX7 480/4885PDE4D 4560/4885BRD4 674/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 P2RX7 388/4885PDE4D 4600/4885BRD4 555/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 P2RX7 480/4885PDE4D 4560/4885BRD4 674/4885

“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.

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