SCHEMBL2916485

SCHEMBL2916485

COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCCN(Cc2ccccc2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
NR3C1 P04150 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL2913300 0.90 GHSR (0.40) CYP3A4CYP2D6OPRM1OPRL1ALDH1A1
SCHEMBL13849465 0.90 CYP3A4 (0.39) CYP3A4CYP2D6OPRM1OPRL1ALDH1A1
SCHEMBL2942975 0.89 SIGMAR1 (0.48) CYP2D6OPRM1OPRL1SIGMAR1TSHR
SCHEMBL13849464 0.88 CYP3A4 (0.38) CYP3A4CYP2D6OPRM1OPRL1ALDH1A1
SCHEMBL2916173 0.81 CYP3A4 (0.49) CYP3A4CYP2D6NR3C1SIGMAR1ALDH1A1
SCHEMBL2449927 0.80 CCR8 (0.52) OPRM1OPRL1SIGMAR1ALDH1A1MEN1
SCHEMBL2915758 0.79 CCR8 (0.42) CYP2D6OPRM1ALDH1A1TSHRMEN1
SCHEMBL2913042 0.79 CCR8 (0.42) CYP2D6OPRM1ALDH1A1TSHRMEN1
SCHEMBL2909365 0.78 ALDH1A1 (0.41) OPRM1OPRL1SIGMAR1ALDH1A1MEN1
SCHEMBL2909458 0.78 GSK3A (0.39) OPRM1OPRL1SIGMAR1ALDH1A1TSHR

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 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

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 CYP3A4 313/4885CYP2D6 440/4885OPRM1 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.