SCHEMBL20554482

SCHEMBL20554482

Nc1ccc(OCC2CCC(F)(F)CC2)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ MCHR1 Q99705 3/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ PDE4D Q08499 3/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ HTR4 Q13639 2/20 0.34
▸ HTR1A P08908 1/20 0.34

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
SCHEMBL20554346 0.81 CTSB (0.48) HSP90AA1IDO1PDE4DBRD4KCNH2
SCHEMBL20554317 0.76 PDE4D (0.47) P2RX7PDE4D
SCHEMBL20554266 0.74 P2RX7 (0.40) P2RX7PDE4DBRD4KDM5AKDM4C
SCHEMBL24968804 0.74 CDK2 (0.42) MCHR1BRD4KDM5AKDM4CKDM5B
SCHEMBL30152341 0.74 CDK2 (0.42) MCHR1BRD4KDM5AKDM4CKDM5B
SCHEMBL24968803 0.73 MCHR1 (0.42) MCHR1KDM5AKDM4CKDM5BHTR2C
SCHEMBL24969547 0.73 KDM5A (0.35) MCHR1KDM5AKDM4CKDM5BHTR2C
SCHEMBL30152285 0.73 KDM5A (0.35) MCHR1KDM5AKDM4CKDM5BHTR2C
SCHEMBL28194494 0.72 KDM4E (0.54) HSP90AA1BRD4ALDH1A1MEN1MAPT
SCHEMBL31134074 0.72 HSP90AA1 (0.50) HSP90AA1HSP90AB1IDO1PSMB5MCHR1

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 HSP90AA1 1428/4885HSP90AB1 1055/4885IDO1 1006/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB HSP90AA1 1404/4885HSP90AB1 1131/4885IDO1 975/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 HSP90AA1 1417/4885HSP90AB1 1146/4885IDO1 770/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 HSP90AA1 1421/4885HSP90AB1 1052/4885IDO1 846/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 HSP90AA1 1417/4885HSP90AB1 1146/4885IDO1 770/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 HSP90AA1 1421/4885HSP90AB1 1052/4885IDO1 846/4885

“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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