SCHEMBL2913047

SCHEMBL2913047

COc1ccc(CCC(c2cccc(CC(=O)O)c2)N2CCC3(CC2)NC(=O)N(CC(C)C)C3=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
AKR1B1 P15121 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.35
SLC6A4 P31645 1/20 0.35
NR3C2 P08235 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL2915416 0.91 LMNA (0.40) MEN1KMT2AHTR1ADRD2HTR7
SCHEMBL2912996 0.85 ALDH1A1 (0.39) MEN1KMT2AHTR1ADRD2HTR7
SCHEMBL2913306 0.76 POLB (0.40) MEN1KMT2AALDH1A1NPC1AKR1B1
SCHEMBL2913042 0.69 CCR8 (0.42) MEN1KMT2AALDH1A1
SCHEMBL2912440 0.69 HTR1A (0.41) MEN1KMT2AHTR1AHTR7ALDH1A1
SCHEMBL2919374 0.67 NPC1 (0.38) MEN1KMT2AALDH1A1NPC1AKR1B1
SCHEMBL2915783 0.66 HTR1A (0.41) MEN1KMT2AHTR1ADRD2HTR7
SCHEMBL4837092 0.66 CCR5 (0.54) MEN1KMT2AALDH1A1NPC1AKR1B1
Hydrochloric Acid SCHEMBL4836788 0.65 CCR5 (0.53) MEN1KMT2AALDH1A1NPC1AKR1B1
SCHEMBL2910436 0.64 PLA2G4A (0.41) HTR1AHTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP claimed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US claimed
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
EP-1979355-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 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 (1 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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS PPARD, PPARG, PPARA MEN1 4719/4885KMT2A 3750/4885HTR1A 2163/4885

“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.