SCHEMBL5745425

SCHEMBL5745425

OC1CCCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.49
OPRL1 P41146 4/20 0.48
OPRM1 P35372 4/20 0.48
OPRK1 P41145 2/20 0.48
OPRD1 P41143 1/20 0.48
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
SLC6A9 P48067 1/20 0.46
KCNA3 P22001 1/20 0.45
CYP2D6 P10635 3/20 0.44
KCNH2 Q12809 3/20 0.44
KMT2A Q03164 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL5745187 0.90 KDM4E (0.47) KDM4EL3MBTL3L3MBTL1ALDH1A1OPRL1
SCHEMBL2267354 0.89 L3MBTL3 (0.53) KDM4EL3MBTL3L3MBTL1ALDH1A1OPRL1
SCHEMBL2267306 0.89 L3MBTL3 (0.53) KDM4EL3MBTL3L3MBTL1ALDH1A1OPRL1
SCHEMBL5746014 0.83 ALDH1A1 (0.46) KDM4EALDH1A1OPRL1OPRM1OPRK1
SCHEMBL48800 0.81 OPRM1 (0.48) L3MBTL3L3MBTL1ALDH1A1OPRL1OPRM1
SCHEMBL5745466 0.80 SLC6A9 (0.47) L3MBTL3L3MBTL1ALDH1A1OPRL1OPRM1
SCHEMBL19281773 0.80 OPRM1 (0.47) L3MBTL3L3MBTL1ALDH1A1OPRL1OPRM1
Hydrochloric Acid SCHEMBL741583 0.80 OPRM1 (0.47) L3MBTL3L3MBTL1ALDH1A1OPRL1OPRM1
SCHEMBL18634599 0.79 L3MBTL3 (0.50) L3MBTL3L3MBTL1ALDH1A1OPRL1OPRM1
SCHEMBL18614900 0.79 L3MBTL3 (0.50) L3MBTL3L3MBTL1ALDH1A1OPRL1OPRM1

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 14 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
EP-0529702-B1 Dihydropyridine derivatives, their preparation and their use SANKYO CO (JP) 1996-12-11 EP disclosed
EP-0529702-A1 Dihydropyridine derivatives, their preparation and their use Sankyo Company Limited (JP) 1993-03-03 EP disclosed
CN-1017897-B DIHYDROPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE SANKYO CO (JP) 1992-08-19 CN disclosed
US-4772596-A CALCIUM BLOCKERS SANKYO COMPANY LIMITED (JP) 1988-09-20 US disclosed
EP-0266922-A1 Dihydropyridine derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-05-11 EP disclosed
CN-87107150-A Dihydrogen pyridine derivative and its production and use 1988-05-04 CN 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 KDM4E 2811/4885L3MBTL3 3743/4885L3MBTL1 3101/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI KDM4E 2811/4885L3MBTL3 3743/4885L3MBTL1 3101/4885
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 KDM4E 3216/4885L3MBTL3 2560/4885L3MBTL1 2186/4885

“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.