SCHEMBL21180314

SCHEMBL21180314

O=C1CNC(Cc2cccc(Br)c2)N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
MMP2 P08253 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
PARP1 P09874 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARA Q07869 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
SCHEMBL30595821 1.00 TAAR1 (0.38) TAAR1GPR84HDAC8MMP2MAOA
SCHEMBL4447558 0.80 HDAC8 (0.56) HDAC8POLB
SCHEMBL21180342 0.77 CXCR4 (0.37) TAAR1GPR84MMP2MAOAMAOB
SCHEMBL21176974 0.74 GPR84 (0.34) GPR84HDAC8MAOAMAOB
SCHEMBL29452916 0.74 GPR84 (0.34) GPR84HDAC8MAOAMAOB
SCHEMBL21176977 0.74 GPR84 (0.34) GPR84HDAC8MAOAMAOB
Trifluoroacetic Acid SCHEMBL2484524 0.71 HDAC8 (0.46) HDAC8
SCHEMBL21176970 0.70 CYP4F2 (0.31)
SCHEMBL21176968 0.70 CYP4F2 (0.31)
SCHEMBL2672578 0.70 HSD17B10 (0.45) TAAR1GPR84MMP2MAOBIDO1

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 TAAR1 877/4885GPR84 67/4885HDAC8 1351/4885
US-11691953-B2 Compound as PPAR agonist and application thereof PPARA, PPARG, PPARD TAAR1 988/4885GPR84 23/4885HDAC8 1148/4885
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD TAAR1 988/4885GPR84 23/4885HDAC8 1148/4885
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD TAAR1 988/4885GPR84 23/4885HDAC8 1148/4885

“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.