SCHEMBL2916834

SCHEMBL2916834

COc1ccc(CCCCN2C(=O)N(CC3CCC3)C(=O)C23CCN(c2cccc(CC(=O)OC(C)(C)C)c2)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
BACE1 P56817 1/20 0.37
MCHR1 Q99705 2/20 0.36
OPRM1 P35372 7/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
OPRL1 P41146 5/20 0.34
CCR5 P51681 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FKBP1A P62942 1/20 0.33
LMNA P02545 2/20 0.33
GLS O94925 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL2909588 0.92 MCHR1 (0.37) HTR1AHTR7HTR6BACE1MCHR1
SCHEMBL2915308 0.91 HTR1A (0.43) HTR1AHTR7HTR6MCHR1OPRM1
SCHEMBL2909327 0.86 OPRM1 (0.36) OPRM1OPRK1OPRL1MAPTSMN1; SMN2
SCHEMBL2917453 0.86 FFAR4 (0.42) HTR1AHTR7HTR6MCHR1OPRM1
SCHEMBL2912597 0.83 FFAR4 (0.43) HTR1AHTR7HTR6MCHR1FFAR4
SCHEMBL13849472 0.82 ITGB3 (0.37) HTR1AHTR7HTR6OPRM1OPRD1
SCHEMBL2917223 0.80 CHRM4 (0.43) FFAR4
SCHEMBL13849471 0.77 FFAR4 (0.39) OPRM1FFAR4OPRL1CCR5MEN1
SCHEMBL2916637 0.76 IDO1 (0.39) OPRM1FFAR4OPRL1LMNASMN1; SMN2
SCHEMBL2915435 0.76 SIGMAR1 (0.38) OPRM1OPRK1FFAR4OPRL1LMNA

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 2 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

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 HTR1A 2163/4885HTR7 2222/4885HTR6 2012/4885

“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.