SCHEMBL5745248

SCHEMBL5745248

CC1CN(C(c2ccccc2)c2ccccc2)CCC1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.51
OPRM1 P35372 6/20 0.51
SLC6A9 P48067 7/20 0.50
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DPP4 P27487 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL5768221 0.92 SLC6A9 (0.47) OPRL1OPRM1SLC6A9L3MBTL3L3MBTL1
SCHEMBL5746042 0.87 OPRL1 (0.51) OPRL1OPRM1SLC6A9L3MBTL3L3MBTL1
SCHEMBL10711603 0.86 CYP2D6 (0.53) OPRL1OPRM1CYP2D6OPRK1ALDH1A1
SCHEMBL5745110 0.85 CYP2D6 (0.47) OPRL1OPRM1SLC6A9CYP2D6OPRK1
SCHEMBL5743681 0.85 OPRL1 (0.48) OPRL1OPRM1SLC6A9L3MBTL3L3MBTL1
SCHEMBL5746256 0.80 SLC6A9 (0.47) OPRL1OPRM1SLC6A9L3MBTL3L3MBTL1
SCHEMBL13699664 0.80 L3MBTL3 (0.53) OPRL1OPRM1SLC6A9L3MBTL3L3MBTL1
SCHEMBL19083892 0.80 L3MBTL3 (0.53) OPRL1OPRM1SLC6A9L3MBTL3L3MBTL1
SCHEMBL19083895 0.80 L3MBTL3 (0.53) OPRL1OPRM1SLC6A9L3MBTL3L3MBTL1
SCHEMBL2267306 0.80 L3MBTL3 (0.53) OPRL1OPRM1SLC6A9L3MBTL3L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288198-B1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORP (JP) 2006-12-20 EP disclosed
US-6992205-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2006-01-31 US disclosed
US-6864372-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2005-03-08 US disclosed
US-6794519-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2004-09-21 US disclosed
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base KANEKA CORPORATION (JP) 2003-09-18 US disclosed
US-20030176711-A1 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2003-09-18 US disclosed
US-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-08-28 US disclosed
EP-1288198-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-03-05 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 (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-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS TST, STS, SELENOI OPRL1 3971/4885OPRM1 2799/4885SLC6A9 200/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI OPRL1 3971/4885OPRM1 2799/4885SLC6A9 200/4885
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base BRAF, ADH1C, TST OPRL1 2795/4885OPRM1 1372/4885SLC6A9 111/4885

“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.