SCHEMBL354856

SCHEMBL354856

COc1cccc([C@](O)(CCN(C)C)C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CALM1 P0DP23 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
AOC3 Q16853 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL117975 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CALM1CAMKK2CHRNB2
Hydrochloric Acid SCHEMBL7676026 0.99 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2CALM1CAMKK2CHRNB2
Hydrochloric Acid SCHEMBL7676029 0.99 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2CALM1CAMKK2CHRNB2
SCHEMBL10349809 0.84 ALDH1A1 (0.51) ALDH1A1AOC3HTR2A
SCHEMBL18897543 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL4624693 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL669922 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL8526677 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL670608 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3
SCHEMBL670046 0.79 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CALM1CAMKK2AOC3

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 67 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-20170326079-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain GRUENENTHAL GMBH (DE) 2017-11-16 US claimed
EP-3069717-A1 USE OF 1-PHENYL-3-DIMETHYLAMINOPROPANE COMPOUNDS FOR TREATING RHEUMATOID PAIN Grünenthal GmbH (DE) 2016-09-21 EP 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-1429754-B1 COMBINATION OF SELECTED OPIOIDS WITH MUSCARINE ANTAGONISTS FOR TREATING URINARY INCONTINENCE GRUENENTHAL GMBH (DE) 2008-01-16 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 508/4885SMN1; SMN2 384/4885CALM1 1114/4885
US-20080269326-A1 Use of 1-Phenyl-3-Dimethylamino-propane Compounds for Treating Neuropathic Pain PMP22, GAP43, IAPP ALDH1A1 598/4885SMN1; SMN2 38/4885CALM1 1853/4885
US-20040034105-A1 Use of 1-phenyl-3-dimethylaminopropane compounds for treatment of urinary incontinence PNMT, UROD, PDE3A ALDH1A1 32/4885SMN1; SMN2 1703/4885CALM1 982/4885
US-20180235909-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain OPRK1, DRG1, OPRL1 ALDH1A1 185/4885SMN1; SMN2 3414/4885CALM1 1604/4885
US-20170326079-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain OPRK1, DRG1, OPRL1 ALDH1A1 185/4885SMN1; SMN2 3414/4885CALM1 1604/4885
US-20100280128-A1 Use of 1-phenyl-3-dimethylaminopropane Compounds for Treating Rheumatoid Pain OPRK1, DRG1, OPRL1 ALDH1A1 185/4885SMN1; SMN2 3414/4885CALM1 1604/4885
US-20100311842-A1 Use of 1-Phenyl-3-dimethylamino-propane Compounds for Treating Neuropathic Pain PMP22, GAP43, IAPP ALDH1A1 598/4885SMN1; SMN2 38/4885CALM1 1853/4885

“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.