SCHEMBL20554109

SCHEMBL20554109

COc1c(Oc2ccc(C(F)(F)F)cc2)ccc2c1OCCC2N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NFE2L2 Q16236 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
PNMT P11086 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 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
SCHEMBL20554520 0.87 L3MBTL1 (0.39) L3MBTL1RAB9AMAPTLMNAATM
SCHEMBL30132604 0.85 MAPT (0.35) MAPTKDM4EPTGDR2SLC6A4HTR2A
SCHEMBL20554321 0.85 MAPT (0.35) MAPTKDM4EPTGDR2SLC6A4HTR2A
SCHEMBL20554765 0.85 L3MBTL1 (0.36) L3MBTL1RAB9AMAPTLMNAATM
SCHEMBL20554813 0.84 ALOX5AP (0.39)
SCHEMBL20554692 0.83 PNMT (0.37) L3MBTL1RAB9AMAPTLMNAATM
SCHEMBL20554267 0.82 HTR2A (0.33) LMNASLC6A4HTR2A
SCHEMBL30132527 0.82 HTR2A (0.33) LMNASLC6A4HTR2A
SCHEMBL20554305 0.77 TEAD1 (0.45) MAPTTRPC6KDM4EPTGDR2SLC6A4
SCHEMBL22439113 0.74 KDM4E (0.40) LMNAPNMTKDM4EKCNH2LTA4H

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 L3MBTL1 2435/4885RAB9A 3402/4885MAPT 4512/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB L3MBTL1 2437/4885RAB9A 3497/4885MAPT 4590/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 L3MBTL1 3176/4885RAB9A 3435/4885MAPT 4675/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 L3MBTL1 3129/4885RAB9A 3287/4885MAPT 4605/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 L3MBTL1 3176/4885RAB9A 3435/4885MAPT 4675/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 L3MBTL1 3129/4885RAB9A 3287/4885MAPT 4605/4885

“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.