SCHEMBL150354

SCHEMBL150354

CC(CN(C)C)C(C)(O)c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
OPRM1 P35372 6/20 0.46
SLC22A1 O15245 1/20 0.46
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A4 P31645 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
OPRD1 P41143 6/20 0.37
OPRK1 P41145 4/20 0.37
TSHR P16473 1/20 0.37
MRGPRX2 Q96LB1 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
SCHEMBL150355 1.00 ALDH1A1 (0.53) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL3730504 1.00 ALDH1A1 (0.53) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
Hydrochloric Acid SCHEMBL7673735 0.98 ALDH1A1 (0.51) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
Hydrochloric Acid SCHEMBL7679846 0.98 ALDH1A1 (0.51) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
Hydrochloric Acid SCHEMBL7673740 0.98 ALDH1A1 (0.51) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL174568 0.82 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL2554077 0.82 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL3899366 0.82 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL354619 0.82 ALDH1A1 (0.50) ALDH1A1CYP2D6CYP2C19HSD17B10OPRM1
SCHEMBL4495715 0.82 ALDH1A1 (0.50) 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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180235909-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain GRUENENTHAL GMBH (DE) 2018-08-23 US claimed
US-20160346228-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain GRUENENTHAL GMBH (DE) 2016-12-01 US claimed
EP-3069717-A1 USE OF 1-PHENYL-3-DIMETHYLAMINOPROPANE COMPOUNDS FOR TREATING RHEUMATOID PAIN Grünenthal GmbH (DE) 2016-09-21 EP claimed
JP-4737583-B2 2011-08-03 JP claimed
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-20080269326-A1 Use of 1-Phenyl-3-Dimethylamino-propane Compounds for Treating Neuropathic Pain GRUENENTHAL GMBH (DE) 2008-10-30 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-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
EP-1390023-A2 PHARMACEUTICAL SALTS Grünenthal GmbH (DE) 2004-02-25 EP 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-2002067916-A2 PHARMACEUTICAL SALTS Grünenthal GmbH (DE) 2002-09-06 WO claimed
WO-2002067651-A2 PHARMACEUTICAL SALTS Grünenthal GmbH (DE) 2002-09-06 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 (6 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-20080269326-A1 Use of 1-Phenyl-3-Dimethylamino-propane Compounds for Treating Neuropathic Pain PMP22, GAP43, IAPP ALDH1A1 598/4885CYP2D6 2870/4885CYP2C19 4686/4885
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-20180235909-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain OPRK1, DRG1, OPRL1 ALDH1A1 185/4885CYP2D6 1801/4885CYP2C19 4080/4885
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-20160346228-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain OPRK1, DRG1, OPRL1 ALDH1A1 185/4885CYP2D6 1801/4885CYP2C19 4080/4885

“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.