SCHEMBL3913737

SCHEMBL3913737

CN1[C@@H]2COC[C@H]1C[C@@H](CC(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.35
CHRM3 P20309 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A12 P48065 4/20 0.32
SLC6A11 P48066 4/20 0.32
SLC6A13 Q9NSD5 4/20 0.32
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL3915572 1.00 HTR3A (0.35) HTR3ACHRM3CHRM2CHRM1ALDH1A1
SCHEMBL1922997 1.00 HTR3A (0.35) HTR3ACHRM3CHRM2CHRM1ALDH1A1
SCHEMBL2104670 0.84 CHRM3 (0.35) HTR3ACHRM3CHRM2CHRM1
SCHEMBL18686611 0.82 CHRM3 (0.47) HTR3ACHRM3CHRM2CHRM1TDP1
SCHEMBL6223543 0.82 CHRM3 (0.47) HTR3ACHRM3CHRM2CHRM1TDP1
SCHEMBL7329746 0.82 CHRM3 (0.47) HTR3ACHRM3CHRM2CHRM1TDP1
Hydrochloric Acid SCHEMBL3744342 0.81 CHRM3 (0.46) HTR3ACHRM3CHRM2CHRM1TDP1
Hydrochloric Acid SCHEMBL18980736 0.81 CHRM3 (0.46) HTR3ACHRM3CHRM2CHRM1TDP1
SCHEMBL4173981 0.79 CHRM3 (0.42) CHRM3CHRM2CHRM1ALDH1A1POLB
SCHEMBL4173985 0.79 CHRM3 (0.42) CHRM3CHRM2CHRM1ALDH1A1POLB

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-7579345-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2009-08-25 US disclosed
US-20070232599-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-10-04 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-20070232599-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 HTR3A 152/4885CHRM3 1/4885CHRM2 3/4885

“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.