SCHEMBL21187235

SCHEMBL21187235

CCc1ccc(CCCc2cccc(C[C@H]3CNCC(=O)N3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.39
PDE4A P27815 2/20 0.35
MAPK1 P28482 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE4B Q07343 2/20 0.35
TNF P01375 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
KMT2A Q03164 1/20 0.35
NAAA Q02083 1/20 0.33
DDB1 Q16531 4/20 0.33
CRBN Q96SW2 4/20 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
SCHEMBL28225986 1.00 CXCR4 (0.39) CXCR4PDE4AMAPK1PDE4DPDE4B
SCHEMBL28225984 1.00 CXCR4 (0.39) CXCR4PDE4AMAPK1PDE4DPDE4B
SCHEMBL29452904 1.00 CXCR4 (0.39) CXCR4PDE4AMAPK1PDE4DPDE4B
SCHEMBL21187236 0.86 HTR2A (0.32) CXCR4PDE4AMAPK1PDE4DPDE4B
SCHEMBL21176974 0.81 GPR84 (0.34) NAAADDB1CRBNGPR84HTR2A
SCHEMBL21176977 0.81 GPR84 (0.34) NAAADDB1CRBNGPR84HTR2A
SCHEMBL29452916 0.81 GPR84 (0.34) NAAADDB1CRBNGPR84HTR2A
SCHEMBL28226023 0.79 HRH3 (0.40) NAAAHTR2A
SCHEMBL28226022 0.79 HRH3 (0.40) NAAAHTR2A
SCHEMBL29452874 0.79 CXCR4 (0.33) CXCR4PDE4AMAPK1PDE4DPDE4B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. 2020-10-22 US claimed
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-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
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

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 CXCR4 1089/4885PDE4A 559/4885MAPK1 2039/4885
US-11691953-B2 Compound as PPAR agonist and application thereof PPARA, PPARG, PPARD CXCR4 722/4885PDE4A 236/4885MAPK1 2533/4885
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD CXCR4 722/4885PDE4A 236/4885MAPK1 2533/4885
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD CXCR4 722/4885PDE4A 236/4885MAPK1 2533/4885

“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.