SCHEMBL6250109

SCHEMBL6250109

CCN(CC)S(=O)(=O)c1ccc(Cc2ccccc2OCCN2CCC(n3c(CO)nc4ccccc43)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.40
HTR7 P34969 10/20 0.40
HTR1A P08908 8/20 0.40
HTR2A P28223 8/20 0.40
HRH1 P35367 4/20 0.39
DRD1 P21728 4/20 0.39
DRD5 P21918 4/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL6247275 0.92 HTR1A (0.38) DRD2HTR7HTR1AHTR2AHRH1
SCHEMBL6248636 0.87 HRH1 (0.42) DRD2HRH1DRD1DRD5DRD4
SCHEMBL6245378 0.86 CNR2 (0.41) DRD2HRH1DRD1DRD5DRD4
SCHEMBL6247347 0.84 HRH1 (0.49) DRD2HRH1DRD1DRD5DRD4
SCHEMBL6249835 0.82 HRH1 (0.40) DRD2HRH1DRD1DRD5DRD4
SCHEMBL6247992 0.81 CHRM1 (0.55) DRD2HTR1AHTR2ADRD3OPRM1
SCHEMBL6250588 0.81 OPRL1 (0.39) HTR7HTR1AHRH1DRD1DRD5
SCHEMBL6247241 0.81 HRH1 (0.39) DRD2HTR1AHRH1DRD1DRD5
SCHEMBL6248397 0.80 HRH1 (0.40) DRD2HRH1DRD1DRD5DRD4
SCHEMBL6249206 0.80 CNR2 (0.40) DRD2HRH1DRD1DRD5DRD4

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-1256575-B1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA (JP) 2005-08-17 EP disclosed
US-6916822-B2 Phenoxyalkylamine derivatives useful as opioid δ receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-12 US disclosed
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands MEIJI SEIKA KAISHA, LTD. (JP) 2005-07-07 US disclosed
EP-1546087-A1 3-AMINO-2-HRYDROXYALKANOIC ACIDS AND THEIR PRODRUGS Abbott Laboratories (US) 2005-06-29 EP disclosed
WO-2004013085-A1 3-AMINO-2-HRYDROXYALKANOIC ACIDS AND THEIR PRODRUGS ABBOTT LABORATORIES (US) 2004-02-12 WO disclosed
US-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists MEIJI SEIKA KAISHA, LTD. (JP) 2003-09-11 US disclosed
EP-1256575-A1 PHENOXYALKYLAMINE DERIVATIVES USEFUL AS OPIOID DELTA RECEPTOR AGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-11-13 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 (2 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-20030171370-A1 Phenoxyalkylamine derivatives useful as opioid receptor agonists OPRM1, OPRK1, OPRD1 DRD2 114/4885HTR7 160/4885HTR1A 181/4885
US-20050148583-A1 Phenoxyalkylamine derivatives useful as opioid delta receptor ligands OPRD1, OPRM1, OPRK1 DRD2 61/4885HTR7 427/4885HTR1A 273/4885

“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.