Butylscopolamine

Butylscopolamine

SCHEMBL16168163

CCCC[N@@+]1(C)C2C[C@H](OC(=O)C(CO)c3ccccc3)C[C@H]1[C@H]1OC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 1.00
CHRM1 P11229 5/20 1.00
BLM P54132 4/20 1.00
TSHR P16473 4/20 1.00
PMP22 Q01453 2/20 1.00
CYP2D6 P10635 1/20 1.00
KCNH2 Q12809 1/20 1.00
LMNA P02545 2/20 0.98
CHRM5 P08912 5/20 0.76
CHRM4 P08173 3/20 0.75
CHRM3 P20309 3/20 0.75
HIF1A Q16665 2/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2C9 P11712 1/20 0.75
HSD17B10 Q99714 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.68
CYP1A2 P05177 1/20 0.61
NFKB1 P19838 1/20 0.61

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 SCHEMBL29643439 1.00 CHRM2 (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL2446872 1.00 CHRM2 (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL2446869 1.00 CHRM2 (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL29473416 1.00 CHRM2 (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL14672547 1.00 CHRM2 (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL155102 1.00 CHRM2 (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL25292 0.99 BLM (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL25291 0.99 BLM (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL2441812 0.99 BLM (1.00) CHRM2CHRM1BLMTSHRPMP22
Butylscopolamine SCHEMBL10732357 0.99 CHRM2 (0.98) CHRM2CHRM1BLMTSHRPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-20140378501-A1 SCOPOLAMINE FOR THE TREATMENT OF DEPRESSION AND ANXIETY CHRNA1, CHRNA2, SLC18A3 CHRM2 9/4885CHRM1 5/4885BLM 577/4885

“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.