SCHEMBL2909458

SCHEMBL2909458

COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCCNC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
KCNA5 P22460 4/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
DAO P14920 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CMA1 P23946 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 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
SCHEMBL2914544 0.88 GSK3A (0.41) GSK3AGSK3BKCNA5HRH3SIGMAR1
SCHEMBL2916485 0.78 CYP3A4 (0.44) HRH3SIGMAR1OPRM1OPRL1ALDH1A1
SCHEMBL2942975 0.77 SIGMAR1 (0.48) SIGMAR1OPRM1OPRL1MEN1TSHR
SCHEMBL14447691 0.75 EP300 (0.37) DAOALDH1A1
SCHEMBL13849465 0.74 CYP3A4 (0.39) HRH3OPRM1OPRL1ALDH1A1MEN1
SCHEMBL2913300 0.74 GHSR (0.40) HRH3OPRM1OPRL1ALDH1A1MEN1
SCHEMBL14448672 0.73 MCHR1 (0.40) GSK3AGSK3BKCNA5OPRM1ALDH1A1
SCHEMBL2911536 0.73 PTGS1 (0.37) ALDH1A1KMT2AMMP1MMP13
SCHEMBL13849464 0.73 CYP3A4 (0.38) HRH3OPRM1OPRL1ALDH1A1MEN1
SCHEMBL2917139 0.73 MMP1 (0.35) ALDH1A1MEN1TSHRKMT2AMMP1

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
EP-1763606-B1 METHOD FOR COLORING TEXTILE SUBSTRATES, AQUEOUS PRETREATMENT BATHS, AND USE THEREOF FOR THE PRETREATMENT OF TEXTILE SUBSTRATES BASF SE (DE) 2010-09-01 EP disclosed
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
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US 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
EP-1781743-B1 WATER-SOLUBLE PRODUCTS HARDENING WITH RADIATION AND USE THEREOF BASF AG (DE) 2008-01-02 EP disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 WO disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 WO disclosed
EP-1763606-A1 METHOD FOR COLORING TEXTILE SUBSTRATES, AQUEOUS PRETREATMENT BATHS, AND USE THEREOF FOR THE PRETREATMENT OF TEXTILE SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 2007-03-21 EP disclosed
WO-2006000384-A1 METHOD FOR COLORING TEXTILE SUBSTRATES, AQUEOUS PRETREATMENT BATHS, AND USE THEREOF FOR THE PRETREATMENT OF TEXTILE SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 WO disclosed
EP-0937730-B1 Process for preparing silylated carboxylic acid amides WACKER CHEMIE GMBH (DE) 2000-08-30 EP disclosed
EP-0937730-A2 Process for preparing silylated carboxylic acid amides Wacker Siltronic Gesellschaft für Halbleitermaterialien Aktiengesellschaft (DE) 1999-08-25 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 (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 GSK3A 1785/4885GSK3B 1550/4885KCNA5 3133/4885

“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.