SCHEMBL4327883

SCHEMBL4327883

O=C(Nc1ccccc1-c1ccccc1)ON1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
CHRM3 P20309 15/20 0.56
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL28209613 0.84 CHRM3 (0.43) ALDH1A1CHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL8590981 0.77 GAA (0.53) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5653581 0.75 ALDH1A1 (0.61) ALDH1A1CHRM3CHRM2CHRM1SMN1; SMN2
SCHEMBL28335754 0.75 MEN1 (0.60) ALDH1A1CHRM3CHRM2CHRM1MEN1
SCHEMBL2092774 0.75 ALDH1A1 (0.57) ALDH1A1CHRM3CHRM2CHRM1MEN1
SCHEMBL10015123 0.74 CHRM3 (0.76) CHRM3
SCHEMBL3455874 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11877881 0.74 TERT (0.42) ALDH1A1CHRM3SMN1; SMN2MEN1KMT2A
SCHEMBL2092771 0.73 CHRM3 (0.55) ALDH1A1CHRM3CHRM2CHRM1MEN1
SCHEMBL18762046 0.73 CHRM3 (0.55) ALDH1A1CHRM3CHRM2CHRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585879-B2 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; biphenyl carbamate derivative THERAVANCE, INC. (US) 2009-09-08 US disclosed
US-20070265305-A1 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; biphenyl carbamate derivative THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-15 US disclosed
EP-1723111-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP disclosed
WO-2005087732-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 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 (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-20070265305-A1 Bronchodilators; treating chronic obstructive pulmonary disease or asthma; long duration of action; reduced side effects, such as dry-mouth and constipation; biphenyl carbamate derivative CHRM2, CHRM1, CHRM3 ALDH1A1 1188/4885CHRM3 3/4885CHRM2 1/4885

“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.