SCHEMBL169116

SCHEMBL169116

COc1cccc(C(C)(O)C(C)CN(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AOC3 Q16853 2/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
HTR2A P28223 2/20 0.39
KIF11 P52732 1/20 0.38

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
SCHEMBL8529142 1.00 CYP2D6 (0.49) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
SCHEMBL355959 1.00 CYP2D6 (0.49) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
Hydrochloric Acid SCHEMBL8686514 0.99 CYP2D6 (0.48) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
SCHEMBL14201833 0.87 CYP2D6 (0.48) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
SCHEMBL7591201 0.87 CYP2D6 (0.62) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
SCHEMBL7591195 0.87 CYP2D6 (0.62) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
Hydrochloric Acid SCHEMBL8014032 0.86 CYP2D6 (0.60) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
Hydrochloric Acid SCHEMBL8014025 0.86 CYP2D6 (0.60) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
SCHEMBL13305025 0.84 CYP2D6 (0.48) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3
SCHEMBL7045165 0.84 CYP2D6 (0.48) CYP2D6ALDH1A1CYP2C19HSD17B10AOC3

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311842-A1 Use of 1-Phenyl-3-dimethylamino-propane Compounds for Treating Neuropathic Pain GRUENENTHAL GMBH (DE) 2010-12-09 US claimed
US-20100280128-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain GRUENENTHAL GMBH (DE) 2010-11-04 US claimed
EP-2117525-A1 USE OF 1-PHENYL-3-DIMETHYLAMINO-PROPANE COMPOUNDS FOR THE THERAPY OF NEUROPATHY PAIN Grünenthal GmbH (DE) 2009-11-18 EP claimed
WO-2008110323-A1 USE OF 1-PHENYL-3-DIMETHYLAMINO-PROPANE COMPOUNDS FOR THE THERAPY OF NEUROPATHY PAIN Grünenthal GmbH (DE) 2008-09-18 WO claimed
EP-1438034-B1 USE OF 1-PHENYL-3-DIMETHYLAMINOPROPANE COMPOUNDS FOR TREATING URINARY INCONTINENCE GRUENENTHAL GMBH (DE) 2008-07-30 EP claimed
EP-1429754-B1 COMBINATION OF SELECTED OPIOIDS WITH MUSCARINE ANTAGONISTS FOR TREATING URINARY INCONTINENCE GRUENENTHAL GMBH (DE) 2008-01-16 EP claimed
EP-1562567-A1 COMBINATION OF SELECTED ANALGESICS AND COX-II INHIBITORS Grünenthal GmbH (DE) 2005-08-17 EP claimed
US-20050137194-A1 Combination of selected opioids with other active compounds for treatment of urinary incontinence GRUENENTHAL GMBH (DE) 2005-06-23 US claimed
EP-1507520-A1 COMBINATION OF SELECTED OPIOIDS WITH OTHER ACTIVE SUBSTANCES FOR USE IN THE THERAPY OF URINARY INCONTINENCE Grünenthal GmbH (DE) 2005-02-23 EP claimed
US-6841575-B2 Use of 1-phenyl-3-dimethylaminopropane compounds for treatment of urinary incontinence GRUENENTHAL GMBH (DE) 2005-01-11 US claimed
US-20040242617-A1 active at very low doses, therefore low side effect profile GRUENENTHAL GMBH (DE) 2004-12-02 US claimed
EP-1438034-A2 USE OF 1-PHENYL-3-DIMETHYLAMINOPROPANE COMPOUNDS FOR TREATING URINARY INCONTINENCE Grünenthal GmbH (DE) 2004-07-21 EP claimed
EP-1429754-A1 COMBINATION OF SELECTED OPIOIDS WITH MUSCARINE ANTAGONISTS FOR TREATING URINARY INCONTINENCE Grünenthal GmbH (DE) 2004-06-23 EP claimed
WO-2004047823-A1 COMBINATION OF SELECTED ANALGESICS AND COX-II INHIBITORS Grünenthal GmbH (DE) 2004-06-10 WO claimed
US-20040034105-A1 Use of 1-phenyl-3-dimethylaminopropane compounds for treatment of urinary incontinence GRUENENTHAL GMBH (DE) 2004-02-19 US claimed
WO-2003099268-A1 COMBINATION OF SELECTED OPIOIDS WITH OTHER ACTIVE SUBSTANCES FOR USE IN THE THERAPY OF URINARY INCONTINENCE Grünenthal GmbH (DE) 2003-12-04 WO claimed
WO-2003024444-A1 COMBINATION OF SELECTED OPIOIDS WITH MUSCARINE ANTAGONISTS FOR TREATING URINARY INCONTINENCE Grünenthal GmbH (DE) 2003-03-27 WO claimed
WO-2002043715-A2 USE OF 1-PHENYL-3-DIMETHYLAMINOPROPANE COMPOUNDS FOR TREATING URINARY INCONTINENCE Grünenthal GmbH (DE) 2002-06-06 WO claimed
EP-3241550-B1 (1R, 2R)-3-(DIMENTHYL AMINO-1-ETHYL-2-METHYL-PROPYL) PHENOL FOR TREATING PAINFUL INFLAMMATIONS GRUENENTHAL GMBH (DE) 2020-07-22 EP disclosed
EP-0693475-A1 1-Phenyl-3-dimethylamino-propane derivatives having pharmacological activity Grünenthal GmbH (DE) 1996-01-24 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 (5 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-20040242617-A1 active at very low doses, therefore low side effect profile OPRM1, OPRK1, OPRD1 CYP2D6 808/4885ALDH1A1 508/4885CYP2C19 1431/4885
US-20040034105-A1 Use of 1-phenyl-3-dimethylaminopropane compounds for treatment of urinary incontinence PNMT, UROD, PDE3A CYP2D6 2039/4885ALDH1A1 32/4885CYP2C19 2940/4885
US-20050137194-A1 Combination of selected opioids with other active compounds for treatment of urinary incontinence OPRM1, OPRK1, OPRL1 CYP2D6 552/4885ALDH1A1 257/4885CYP2C19 1468/4885
US-20100280128-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain OPRK1, DRG1, OPRL1 CYP2D6 1801/4885ALDH1A1 185/4885CYP2C19 4080/4885
US-20100311842-A1 Use of 1-Phenyl-3-dimethylamino-propane Compounds for Treating Neuropathic Pain PMP22, GAP43, IAPP CYP2D6 2870/4885ALDH1A1 598/4885CYP2C19 4686/4885

“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.