SCHEMBL20554374

SCHEMBL20554374

NC1CCOc2c1ccc(Oc1ccc(Cl)cc1)c2F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 4/20 0.35
HTR2A P28223 3/20 0.35
KCNH2 Q12809 3/20 0.35
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL30132635 1.00 MAPT (0.36) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL20554765 0.85 L3MBTL1 (0.36) MAPTSLC6A4HTR2AKCNH2CYP11B1
SCHEMBL20554534 0.85 MAPT (0.36) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL30132559 0.85 MAPT (0.36) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL30132604 0.82 MAPT (0.35) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL20554321 0.82 MAPT (0.35) MAPTKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL30132537 0.75 PTGDR2 (0.36) PTGDR2
SCHEMBL20554479 0.75 PTGDR2 (0.36) PTGDR2
Hydrochloric Acid SCHEMBL1162885 0.74 HTR2C (0.35) HTR2AHTR2CHTR2B
SCHEMBL20554628 0.73 PTGDR2 (0.47) ALDH1A1PTGDR2MAOAMAOBMAP3K14

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 MAPT 4512/4885KDM4E 4216/4885MEN1 2035/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB MAPT 4590/4885KDM4E 4037/4885MEN1 1979/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAPT 4675/4885KDM4E 3428/4885MEN1 1930/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 MAPT 4605/4885KDM4E 3742/4885MEN1 1939/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAPT 4675/4885KDM4E 3428/4885MEN1 1930/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 MAPT 4605/4885KDM4E 3742/4885MEN1 1939/4885

“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.