SCHEMBL14652328

SCHEMBL14652328

CCC[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.77
BLM P54132 3/20 0.75
PABPC1 P11940 1/20 0.75
CYP2C19 P33261 1/20 0.73
CHRM1 P11229 4/20 0.72
CHRM5 P08912 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CHRM4 P08173 2/20 0.72
CHRM3 P20309 2/20 0.72
TSHR P16473 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.69
PMP22 Q01453 2/20 0.66
CYP2D6 P10635 1/20 0.66
KCNH2 Q12809 1/20 0.66
LMNA P02545 1/20 0.65

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
SCHEMBL14507225 0.91 CHRM2 (0.80) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL824874 0.87 CHRM2 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL34463463 0.87 CHRM2 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
SCHEMBL15095412 0.86 CHRM2 (0.56) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL29389879 0.86 PABPC1 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL1321572 0.86 BLM (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL30647266 0.86 BLM (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Bromide SCHEMBL29840597 0.85 BLM (0.77) CHRM2BLMPABPC1CYP2C19CHRM1
Atropine Oxide SCHEMBL98985 0.85 CYP2C19 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Atropine Oxide SCHEMBL29369999 0.85 CYP2C19 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170266113-A1 NEBULIZABLE COMPOSITIONS OF QUATERNARY AMMONIUM MUSCARINIC RECEPTOR ANTAGONISTS DEY LP 2017-09-21 US disclosed
US-20130019861-A1 NEBULIZABLE COMPOSITIONS OF QUATERNARY AMMONIUM MUSCARINIC RECEPTOR ANTAGONISTS CHAUDRY IMTIAZ A (US) 2013-01-24 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-20170266113-A1 NEBULIZABLE COMPOSITIONS OF QUATERNARY AMMONIUM MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM2 3/4885BLM 926/4885PABPC1 3157/4885

“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.