SCHEMBL5762983

SCHEMBL5762983

COc1cccc2c1C=C(C#N)CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.45
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACHE P22303 2/20 0.36
MAOB P27338 1/20 0.36
MIF P14174 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR2A P28223 3/20 0.33
CYP19A1 P11511 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2C P28335 1/20 0.33
HPGDS O60760 1/20 0.33
NR3C1 P04150 1/20 0.32

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
SCHEMBL19054488 0.80 TSHR (0.33) HTR2C
SCHEMBL25090471 0.78 NR1H4 (0.49) NR1H4KDM4EMAPTCASP1CASP7
SCHEMBL1284505 0.76 KMT2A (0.50) NR1H4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9361563 0.75 ACHE (0.46) ACHEBCHE
SCHEMBL10613151 0.73 ACHE (0.39) NR1H4KDM4EMAPTACHEHPGDS
SCHEMBL5763911 0.72 NR1H4 (0.62) NR1H4KDM4EMAPTCASP1CASP7
SCHEMBL5763685 0.71 NR1H4 (0.49) NR1H4KDM4EMAPTCASP1CASP7
SCHEMBL3199420 0.71 KDM4E (0.33) KDM4EHSD17B10
SCHEMBL20554718 0.69 NR1H4 (0.50) NR1H4KDM4EMAPTCASP1CASP7
SCHEMBL432893 0.68 ALOX5 (0.41) KDM4EMAPTMAOBNPC1RAB9A

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 13 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-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
CN-110240583-A A kind of benzopyrans compounds, and preparation method thereof and pharmaceutical composition and purposes 中国医学科学院药物研究所 2019-09-17 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
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 WO 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 (5 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 NR1H4 188/4885KDM4E 4216/4885MAPT 4512/4885
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 NR1H4 3926/4885KDM4E 3171/4885MAPT 615/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB NR1H4 204/4885KDM4E 4037/4885MAPT 4590/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 NR1H4 185/4885KDM4E 3428/4885MAPT 4675/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 NR1H4 173/4885KDM4E 3742/4885MAPT 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.