SCHEMBL4948718

SCHEMBL4948718

CN(C)CC(c1ccc(O)cc1)C1(O)CCC(O)CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.72
SLC6A4 P31645 9/20 0.72
SLC6A3 Q01959 5/20 0.72
OPRM1 P35372 1/20 0.72
LMNA P02545 1/20 0.52
CNR1 P21554 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
Hydrochloric Acid SCHEMBL5512452 0.99 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL14393481 0.89 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL14393479 0.87 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL5142144 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL5510297 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL5084526 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL34864 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL3277527 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
Desvenlafaxine SCHEMBL34863 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL10772550 0.84 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3OPRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904434-A2 HIGHLY SELECTIVE SEROTONIN AND NOREPINEPHRINE DUAL REUPTAKE INHIBITOR AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-04-02 EP claimed
WO-2007011594-A2 HIGHLY SELECTIVE SEROTONIN AND NOREPINEPHRINE DUAL REUPTAKE INHIBITOR AND USE THEREOF WYETH (US) 2007-01-25 WO claimed
US-20070015828-A1 Highly selective serotonin and norepinephrine dual reuptake inhibitor and use thereof WYETH (US) 2007-01-18 US claimed
US-20080261895-A1 Isolated hydroxy and n-oxide metabolites and derivatives of O-desmethylvenlafaxine and methods of treatment WYETH 2008-10-23 US disclosed
EP-1904434-A2 HIGHLY SELECTIVE SEROTONIN AND NOREPINEPHRINE DUAL REUPTAKE INHIBITOR AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-04-02 EP disclosed
WO-2007011594-A2 HIGHLY SELECTIVE SEROTONIN AND NOREPINEPHRINE DUAL REUPTAKE INHIBITOR AND USE THEREOF WYETH (US) 2007-01-25 WO disclosed
WO-2007011594-A2 HIGHLY SELECTIVE SEROTONIN AND NOREPINEPHRINE DUAL REUPTAKE INHIBITOR AND USE THEREOF WYETH (US) 2007-01-25 WO disclosed
US-20070015828-A1 Highly selective serotonin and norepinephrine dual reuptake inhibitor and use thereof WYETH (US) 2007-01-18 US disclosed
US-20070015828-A1 Highly selective serotonin and norepinephrine dual reuptake inhibitor and use thereof WYETH (US) 2007-01-18 US disclosed
US-20070015828-A1 Highly selective serotonin and norepinephrine dual reuptake inhibitor and use thereof WYETH (US) 2007-01-18 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 (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-20070015828-A1 Highly selective serotonin and norepinephrine dual reuptake inhibitor and use thereof SLC6A2, SLC6A3, SLC6A4 SLC6A2 1/4885SLC6A4 3/4885SLC6A3 2/4885
US-20080261895-A1 Isolated hydroxy and n-oxide metabolites and derivatives of O-desmethylvenlafaxine and methods of treatment UGT1A4, SLC6A4, UGT1A3 SLC6A2 5/4885SLC6A4 2/4885SLC6A3 8/4885

“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.