Butylscopolamine

Butylscopolamine

SCHEMBL5028833

Br.CCCC[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Butylscopolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 6/20 0.96
CHRM3 known ✓ P20309 2/20 0.74
BLM P54132 6/20 0.98
PMP22 Q01453 2/20 0.98
LMNA P02545 2/20 0.98
CHRM1 P11229 4/20 0.96
TSHR P16473 2/20 0.96
CYP2D6 P10635 1/20 0.96
KCNH2 Q12809 1/20 0.96
CHRM5 P08912 4/20 0.77
CHRM4 P08173 2/20 0.74
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
HIF1A Q16665 1/20 0.72
HSD17B10 Q99714 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.66
TDP1 Q9NUW8 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 1/20 0.59

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
Butylscopolamine SCHEMBL10732782 0.99 BLM (0.96) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL29373202 0.99 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL25291 0.99 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL2441812 0.99 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL25292 0.99 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL1650352 0.99 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL14672547 0.98 CHRM2 (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL29473416 0.98 CHRM2 (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL16168163 0.98 CHRM2 (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL2446869 0.98 CHRM2 (1.00) BLMPMP22LMNACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289832-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-09-23 US disclosed
EP-3849347-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-07-21 EP disclosed
US-20210213091-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-07-15 US disclosed
US-20210145036-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT Poviva Corp. 2021-05-20 US disclosed
US-20210145841-A1 ENHANCEMENT OF DELIVERY OF LIPOPHILIC ACTIVE AGENTS ACROSS THE BLOOD-BRAIN BARRIER AND METHODS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS Poviva Corp. 2021-05-20 US disclosed
EP-3810135-A1 ENHANCEMENT OF DELIVERY OF LIPOPHILIC ACTIVE AGENTS ACROSS THE BLOOD-BRAIN BARRIER AND METHODS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS Poviva Corp. (US) 2021-04-28 EP disclosed
EP-3780976-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT Poviva Corp. (US) 2021-02-24 EP disclosed
US-20210045998-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS Poviva Corp. 2021-02-18 US disclosed
EP-3765088-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS Poviva Corp. (US) 2021-01-20 EP disclosed
US-20200178572-A1 MICROWAVE PROCESSING METHODS FOR FORMULATING ORALLY INGESTIBLE COMPOSITIONS COMPRISING LIPOPHILIC ACTIVE AGENTS Poviva Corp. 2020-06-11 US disclosed
WO-2020056344-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF POVIVA TEA, LLC (US) 2020-03-19 WO disclosed
WO-2019204502-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT POVIVA TEA, LLC (US) 2019-10-24 WO disclosed
WO-2019178360-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS POVIVA TEA, LLC (US) 2019-09-19 WO disclosed
WO-2018232422-A1 MICROWAVE PROCESSING METHODS FOR FORMULATING ORALLY INGESTIBLE COMPOSITIONS COMPRISING LIPOPHILIC ACTIVE AGENTS POVIVA TEA, LLC (US) 2018-12-20 WO disclosed
US-9707220-B2 Scopolamine for the treatment of depression and anxiety THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US disclosed
US-20140378501-A1 SCOPOLAMINE FOR THE TREATMENT OF DEPRESSION AND ANXIETY The Governmen of the United States of America, as represented by Secretary, Department of Health and (US) 2014-12-25 US disclosed
US-8859585-B2 Scopolamine for the treatment of depression and anxiety THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-14 US disclosed
EP-1896025-A1 SCOPOLAMINE FOR THE TREATMENT OF DEPRESSION AND ANXIETY GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-03-12 EP disclosed
US-20060270698-A1 Scopolamine for the treatment of depression and anxiety THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-11-30 US disclosed
WO-2006127418-A1 SCOPOLAMINE FOR THE TREATMENT OF DEPRESSION AND ANXIETY THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 2006-11-30 WO 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 (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-20060270698-A1 Scopolamine for the treatment of depression and anxiety CHRNA1, SLC18A3, CHRNB1 CHRM2 10/4885CHRM3 7/4885BLM 575/4885
US-20200178572-A1 MICROWAVE PROCESSING METHODS FOR FORMULATING ORALLY INGESTIBLE COMPOSITIONS COMPRISING LIPOPHILIC ACTIVE AGENTS PNLIP, LIPC, LIPA CHRM2 3221/4885CHRM3 4106/4885BLM 3648/4885
US-20210045998-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS LIPA, MMP8, MMP1 CHRM2 1704/4885CHRM3 1952/4885BLM 3109/4885
US-20210145036-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT LIPC, PNLIP, LIPA CHRM2 4015/4885CHRM3 4238/4885BLM 4567/4885
US-20210145841-A1 ENHANCEMENT OF DELIVERY OF LIPOPHILIC ACTIVE AGENTS ACROSS THE BLOOD-BRAIN BARRIER AND METHODS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS FABP7, LIPA, LIPC CHRM2 795/4885CHRM3 1329/4885BLM 2981/4885
US-20140378501-A1 SCOPOLAMINE FOR THE TREATMENT OF DEPRESSION AND ANXIETY CHRNA1, CHRNA2, SLC18A3 CHRM2 9/4885CHRM3 11/4885BLM 577/4885
US-20210213091-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF MGLL, LIPA, LAMP1 CHRM2 162/4885CHRM3 287/4885BLM 2662/4885

“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.