SCHEMBL21177006

SCHEMBL21177006

CN1CC(=O)NC1Cc1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
MAOB P27338 6/20 0.39
MAOA P21397 3/20 0.39
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
BACE1 P56817 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL29452980 1.00 BCHE (0.40) BCHEMAOBMAOAADORA2AADORA1
SCHEMBL22555679 0.77 OPRK1 (0.36) ALOX5LMNASMN1; SMN2SIGMAR1
SCHEMBL21187251 0.77 OPRK1 (0.36) ALOX5LMNASMN1; SMN2SIGMAR1
SCHEMBL30514796 0.77 OPRK1 (0.36) ALOX5LMNASMN1; SMN2SIGMAR1
SCHEMBL21177130 0.73 MEN1 (0.33) ALOX5LMNASMN1; SMN2
SCHEMBL29452911 0.73 MEN1 (0.33) ALOX5LMNASMN1; SMN2
SCHEMBL21176973 0.73 MEN1 (0.33) ALOX5LMNASMN1; SMN2
SCHEMBL30514798 0.73 MEN1 (0.33) ALOX5LMNASMN1; SMN2
SCHEMBL25403938 0.70 HDAC6 (0.63) SIGMAR1
SCHEMBL21180314 0.70 TAAR1 (0.38) MAOBMAOASMN1; SMN2TDP1

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
US-12545653-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. (US) 2026-02-10 US disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 US disclosed
CN-108250058-B PPAR agonists and their use in the treatment of Alzheimer's disease and other diseases 上海怡立舍生物技术有限公司 2022-02-11 CN disclosed
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. 2020-10-22 US disclosed
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. 2020-10-22 US disclosed
WO-2019141229-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF 上海怡立舍生物技术有限公司 2019-07-25 WO disclosed
WO-2019141229-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF 上海怡立舍生物技术有限公司 2019-07-25 WO disclosed
CN-108250058-A PPAR agonists and their use in the treatment of Alzheimer's disease and other diseases 上海怡立舍生物技术有限公司 2018-07-06 CN 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 (4 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-12545653-B2 Compound as PPAR agonist and application thereof PPARA, PPARD, PPARG BCHE 2937/4885MAOB 1634/4885MAOA 2388/4885
US-11691953-B2 Compound as PPAR agonist and application thereof PPARA, PPARG, PPARD BCHE 2125/4885MAOB 1632/4885MAOA 1423/4885
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD BCHE 2125/4885MAOB 1632/4885MAOA 1423/4885
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD BCHE 2125/4885MAOB 1632/4885MAOA 1423/4885

“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.