SCHEMBL2912379

SCHEMBL2912379

COc1ccc(CCN2C(=O)N(CC3CC3)C(=O)C23CCNCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
OPRM1 P35372 3/20 0.39
OPRL1 P41146 3/20 0.39
BACE1 P56817 2/20 0.39
KCNA5 P22460 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
DAO P14920 1/20 0.37

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 0.84 GSK3A (0.41) GSK3AGSK3BOPRM1OPRL1KCNA5
SCHEMBL2917451 0.82 OPRL1 (0.49) OPRM1OPRL1SIGMAR1SMN1; SMN2
SCHEMBL2912597 0.76 FFAR4 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL2909588 0.73 MCHR1 (0.37) OPRM1OPRL1BACE1ALDH1A1SMN1; SMN2
SCHEMBL2917453 0.73 FFAR4 (0.42) OPRM1OPRL1ALDH1A1SMN1; SMN2
SCHEMBL13043453 0.73 CMA1 (0.52) GSK3AGSK3BOPRM1OPRL1ALDH1A1
SCHEMBL2909458 0.73 GSK3A (0.39) GSK3AGSK3BOPRM1OPRL1KCNA5
Hydrochloric Acid SCHEMBL3390878 0.72 CMA1 (0.51) GSK3AGSK3BOPRM1OPRL1ALDH1A1
SCHEMBL3992441 0.71 KCNA5 (0.43) GSK3AGSK3BKCNA5SIGMAR1ALDH1A1
SCHEMBL14447691 0.71 EP300 (0.37) ALDH1A1DAO

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 7 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 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
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

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 1550/4885OPRM1 2790/4885

“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.