SCHEMBL20554133

SCHEMBL20554133

CC1(C)CC(N)c2ccc(Oc3ccc(Cl)cc3)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
MAOB P27338 4/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MAOA P21397 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL30132623 1.00 CNR1 (0.42) CNR1CNR2MAOBPTGDR2LMNA
SCHEMBL3321810 0.84 CNR1 (0.48) CNR1CNR2TRPV1
SCHEMBL3321804 0.84 CNR1 (0.48) CNR1CNR2TRPV1
SCHEMBL3578838 0.82 MAPT (0.47) MAOBMAPTMAOAALDH1A1KDM4E
SCHEMBL3323962 0.77 TRPV1 (0.46) CNR1CNR2MAPTKDM4EMEN1
SCHEMBL3323965 0.77 TRPV1 (0.46) CNR1CNR2MAPTKDM4EMEN1
SCHEMBL6024993 0.76 CNR1 (0.48) CNR1CNR2LMNAMAPTGAA
SCHEMBL3409160 0.76 CNR1 (0.48) CNR1CNR2LMNAMAPTGAA
SCHEMBL19054504 0.74 TRPV1 (0.44) CNR1CNR2PTGDR2LMNAMAPT
SCHEMBL25660453 0.74 HTR2C (0.36) CNR1CNR2MAOBMAOASMN1; SMN2

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 CNR1 175/4885CNR2 183/4885MAOB 3240/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB CNR1 181/4885CNR2 201/4885MAOB 3184/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 CNR1 134/4885CNR2 168/4885MAOB 3552/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 CNR1 132/4885CNR2 167/4885MAOB 3686/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 CNR1 134/4885CNR2 168/4885MAOB 3552/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 CNR1 132/4885CNR2 167/4885MAOB 3686/4885

“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.