SCHEMBL354619

SCHEMBL354619

CCC(O)(c1cccc(O)c1)[C@H](C)CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
OPRM1 P35372 7/20 0.47
SLC22A1 O15245 1/20 0.47
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 6/20 0.37
OPRK1 P41145 5/20 0.37
KCNH2 Q12809 3/20 0.37
HTR2A P28223 2/20 0.37
ADRA1A P35348 2/20 0.37
MRGPRX2 Q96LB1 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH2 P25021 1/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3899366 1.00 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL3893895 1.00 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL4495715 1.00 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL2554077 1.00 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL174568 1.00 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL3908680 1.00 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
Hydrochloric Acid SCHEMBL7673673 0.99 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
Hydrochloric Acid SCHEMBL7673668 0.99 ALDH1A1 (0.49) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
Cadaverine Tartrate SCHEMBL2551513 0.90 LMNA (0.45) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
Cadaverine Tartrate SCHEMBL2551782 0.90 LMNA (0.45) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1

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 69 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
US-7550624-B2 Pharmaceutically active salts and esters of 1-dimethylamino-3-(3-methoxyphenyl)-2-methylpentan-3-ol and 3- (3-dimethylamino-1-ethyl-1-hydroxy-2-methylpropyl)-phenol and methods of using same GRUENENTHAL GMBH (DE) 2009-06-23 US 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-1509216-B1 ACTIVE INGREDIENT SALTS AND ESTERS OF 1-DIMETHYLAMINO-3-(3-METHOXY-PHENYL)-2-METHYL-PENTAN-3-OL AND 3-(3-DIMETHYLAMINO-1-ETHYL-1-HYDROXY-2-METHYL-PROPYL)-PHENOL GRUENENTHAL GMBH (DE) 2008-05-07 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-20050143355-A1 Pharmaceutically active salts and esters of 1-dimethylamino-3-(3-methoxyphenyl)-2-methylpentan-3-ol and 3- (3-dimethylamino-1-ethyl-1-hydroxy-2-methylpropyl)-phenol and methods of using same GRUENENTHAL GMBH (DE) 2005-06-30 US 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-2003103650-A1 ACTIVE INGREDIENT SALTS AND ESTERS OF 1-DIMETHYLAMINO-3-(3-METHOXY-PHENYL)-2-METHYL-PENTAN-3-OL AND 3-(3-DIMETHYLAMINO-1-ETHYL-1-HYDROXY-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2003-12-18 WO 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

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 ALDH1A1 508/4885CYP2D6 808/4885CYP2C19 1431/4885
US-20040034105-A1 Use of 1-phenyl-3-dimethylaminopropane compounds for treatment of urinary incontinence PNMT, UROD, PDE3A ALDH1A1 32/4885CYP2D6 2039/4885CYP2C19 2940/4885
US-20100280128-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain OPRK1, DRG1, OPRL1 ALDH1A1 185/4885CYP2D6 1801/4885CYP2C19 4080/4885
US-20100311842-A1 Use of 1-Phenyl-3-dimethylamino-propane Compounds for Treating Neuropathic Pain PMP22, GAP43, IAPP ALDH1A1 598/4885CYP2D6 2870/4885CYP2C19 4686/4885
US-20050143355-A1 Pharmaceutically active salts and esters of 1-dimethylamino-3-(3-methoxyphenyl)-2-methylpentan-3-ol and 3- (3-dimethylamino-1-ethyl-1-hydroxy-2-methylpropyl)-phenol and methods of using same MME, BPHL, AVPR2 ALDH1A1 186/4885CYP2D6 675/4885CYP2C19 1344/4885

“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.