SCHEMBL5566258

SCHEMBL5566258

COc1cccc(C2(O)CC3CCC(C2)N3C)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.64
SLC6A2 P23975 1/20 0.64
SLC6A3 Q01959 1/20 0.64
GRIN2B Q13224 12/20 0.54
ALDH1A1 P00352 1/20 0.53
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
KDM1A O60341 1/20 0.49

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
SCHEMBL5829461 0.84 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL5829462 0.84 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1
SCHEMBL5193526 0.82 ALDH1A1 (0.52) SLC6A4SLC6A2SLC6A3GRIN2BALDH1A1
SCHEMBL1424423 0.81 GRIN2B (0.52) SLC6A4SLC6A2SLC6A3GRIN2BALDH1A1
SCHEMBL1844989 0.81 GRIN2B (0.52) SLC6A4SLC6A2SLC6A3GRIN2BALDH1A1
SCHEMBL1424424 0.81 GRIN2B (0.52) SLC6A4SLC6A2SLC6A3GRIN2BALDH1A1
Hydrochloric Acid SCHEMBL1773932 0.80 DRD2 (0.51) SLC6A4SLC6A2SLC6A3GRIN2BALDH1A1
Hydrochloric Acid SCHEMBL1773933 0.80 DRD2 (0.51) SLC6A4SLC6A2SLC6A3GRIN2BALDH1A1
SCHEMBL5194656 0.78 SLC6A4 (0.74) SLC6A4SLC6A2SLC6A3GRIN2BALDH1A1
SCHEMBL22646520 0.77 OPRD1 (0.55) SLC6A4SLC6A2SLC6A3GRIN2BALDH1A1

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-1000040-B1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2005-04-28 US disclosed
US-6867207-B2 IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-15 US disclosed
US-20040167333-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs LACRAMPE JEAN FERNAND ARMAND (FR) 2004-08-26 US disclosed
US-20020072603-A1 Novel IL-5 inhibiting 6-azauracil derivatives LACRAMPE JEAN FERNAND ARMAND (FR) 2002-06-13 US disclosed
EP-1000040-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002505-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 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 (3 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-20040167333-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs IL6ST, CXCR5, ALOX5 SLC6A4 1457/4885SLC6A2 2588/4885SLC6A3 2028/4885
US-20050090495-A1 Novel IL-5 inhibiting 6-azauracil derivatives for marking and identifying receptors and imaging organs CXCR5, HCAR3, IL6ST SLC6A4 1687/4885SLC6A2 2600/4885SLC6A3 1138/4885
US-20020072603-A1 Novel IL-5 inhibiting 6-azauracil derivatives IL6ST, ALOX5, IL5 SLC6A4 2993/4885SLC6A2 3875/4885SLC6A3 3543/4885

“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.