SCHEMBL20554608

SCHEMBL20554608

COc1cc(C#N)ccc1Oc1ccc(Cl)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.75
SLC6A4 P31645 5/20 0.58
TBXA2R P21731 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ESRRA P11474 1/20 0.47
CYP19A1 P11511 1/20 0.47
KCNH2 Q12809 5/20 0.46
HTR2A P28223 4/20 0.46
SLC6A3 Q01959 1/20 0.44
MAP2K1 Q02750 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1B Q00975 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL15094069 0.91 AR (0.66) ARSLC6A4TBXA2RMAPK1L3MBTL1
SCHEMBL14861160 0.88 AR (0.66) ARSLC6A4TBXA2RESRRACYP19A1
SCHEMBL14861182 0.85 AR (0.62) ARSLC6A4ESRRACYP19A1KCNH2
SCHEMBL2707586 0.84 AR (0.74) ARSLC6A4MAPK1L3MBTL1ESRRA
SCHEMBL3365226 0.83 SLC6A4 (0.64) ARSLC6A4TBXA2RESRRACYP19A1
SCHEMBL14863141 0.82 SLC6A4 (0.66) ARSLC6A4ESRRACYP19A1KCNH2
SCHEMBL14861212 0.82 SLC6A4 (0.66) ARSLC6A4ESRRACYP19A1KCNH2
SCHEMBL16319500 0.79 AR (0.48) ARSLC6A4TBXA2RCYP19A1KCNH2
SCHEMBL29255047 0.79 AR (0.48) ARSLC6A4TBXA2RCYP19A1KCNH2
SCHEMBL20554635 0.79 TBXA2R (0.50) ARSLC6A4TBXA2RCYP19A1KCNH2

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 AR 131/4885SLC6A4 2627/4885TBXA2R 371/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB AR 113/4885SLC6A4 2767/4885TBXA2R 374/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 AR 60/4885SLC6A4 2664/4885TBXA2R 500/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 AR 76/4885SLC6A4 2506/4885TBXA2R 484/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 AR 60/4885SLC6A4 2664/4885TBXA2R 500/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 AR 76/4885SLC6A4 2506/4885TBXA2R 484/4885

“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.