Butylscopolamine

Butylscopolamine

SCHEMBL2441812

CCCC[N+]1(C)C2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)CC1[C@@H]1O[C@H]21.[Br-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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 18)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 7/20 0.98
CHRM1 known ✓ P11229 5/20 0.98
CHRM5 known ✓ P08912 5/20 0.78
CHRM4 known ✓ P08173 3/20 0.76
CHRM3 known ✓ P20309 3/20 0.76
BLM P54132 5/20 1.00
PMP22 Q01453 2/20 1.00
LMNA P02545 2/20 1.00
TSHR P16473 4/20 0.98
CYP2D6 P10635 1/20 0.98
KCNH2 Q12809 1/20 0.98
HIF1A Q16665 2/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C9 P11712 1/20 0.74
HSD17B10 Q99714 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.67
CYP1A2 P05177 1/20 0.60
NFKB1 P19838 1/20 0.60

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 SCHEMBL1650352 1.00 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL29373202 1.00 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL25292 1.00 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL25291 1.00 BLM (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL5028833 0.99 BLM (0.98) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL16168163 0.99 CHRM2 (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL29643439 0.99 CHRM2 (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL2446869 0.99 CHRM2 (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL14672547 0.99 CHRM2 (1.00) BLMPMP22LMNACHRM2CHRM1
Butylscopolamine SCHEMBL29473416 0.99 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120294938-A1 PHARMACEUTICAL PREPARATION FOR ORAL ADMINISTRATION WITH CONTROLLED ACTIVE INGREDIENT RELEASE IN THE SMALL INTESTINE AND METHOD FOR ITS PRODUCTION Dr. R. Pflefger Chemische Fabrik GmbH (DE) 2012-11-22 US claimed
EP-1880718-B1 Pharmaceutical preparation for oral administration with controlled drug release in the small intestine colon and process of prepartion thereof PFLEGER R CHEM FAB (DE) 2011-09-21 EP claimed
US-20090285891-A1 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production DR. R. PFLEGER CHEMISCHE FABRIK GMBH (DE) 2009-11-19 US claimed
EP-1880718-A1 Pharmaceutical preparation for oral administration with controlled drug release in the small intestine colon and process of prepartion thereof Dr. R. Pfleger Chemische Fabrik GmbH (DE) 2008-01-23 EP claimed
US-20120294938-A1 PHARMACEUTICAL PREPARATION FOR ORAL ADMINISTRATION WITH CONTROLLED ACTIVE INGREDIENT RELEASE IN THE SMALL INTESTINE AND METHOD FOR ITS PRODUCTION Dr. R. Pflefger Chemische Fabrik GmbH (DE) 2012-11-22 US disclosed
US-8221787-B2 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production Dr. Robert Pfleger Chemische Fabrik GmbH (DE) 2012-07-17 US disclosed
EP-1880718-B1 Pharmaceutical preparation for oral administration with controlled drug release in the small intestine colon and process of prepartion thereof PFLEGER R CHEM FAB (DE) 2011-09-21 EP disclosed
US-20090285891-A1 Pharmaceutical preparation for oral administration with controlled active ingredient release in the small intestine and method for its production DR. R. PFLEGER CHEMISCHE FABRIK GMBH (DE) 2009-11-19 US disclosed
EP-1880718-A1 Pharmaceutical preparation for oral administration with controlled drug release in the small intestine colon and process of prepartion thereof Dr. R. Pfleger Chemische Fabrik GmbH (DE) 2008-01-23 EP disclosed