SCHEMBL14507225

SCHEMBL14507225

CC[N+]1(C)C2CCC1CC(OC(=O)[C@H](CO)c1ccccc1)C2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.80
BLM P54132 3/20 0.78
PABPC1 P11940 1/20 0.78
CYP2C19 P33261 1/20 0.77
CHRM1 P11229 6/20 0.75
CHRM5 P08912 6/20 0.75
CHRM3 P20309 5/20 0.75
CHRM4 P08173 4/20 0.75
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
TSHR P16473 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.72
HTR2C P28335 2/20 0.67
KDM4E B2RXH2 1/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
ADRA2C P18825 1/20 0.67
ADRA1A P35348 1/20 0.67
HRH1 P35367 1/20 0.67
NFKB1 P19838 1/20 0.67

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
SCHEMBL14652328 0.91 CHRM2 (0.77) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL824874 0.89 CHRM2 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL34463463 0.89 CHRM2 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL29389879 0.88 PABPC1 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL30647266 0.88 BLM (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Methylatropine SCHEMBL1321572 0.88 BLM (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Bromide SCHEMBL29840597 0.87 BLM (0.77) CHRM2BLMPABPC1CYP2C19CHRM1
Atropine Oxide SCHEMBL98985 0.87 CYP2C19 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Atropine Oxide SCHEMBL29369999 0.87 CYP2C19 (1.00) CHRM2BLMPABPC1CYP2C19CHRM1
Atropine Oxide SCHEMBL162929 0.87 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 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-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases CHRM2, ADRB2, CHRM3 CHRM2 1/4885BLM 4472/4885PABPC1 4618/4885

“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.