SCHEMBL13714935

SCHEMBL13714935

CCOC(=O)CC1C[C@H]2COC[C@@H](C1)N2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR3A P46098 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.32
FKBP1A P62942 2/20 0.32
TNF P01375 1/20 0.32
FKBP4 Q02790 1/20 0.32
FKBP5 Q13451 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
SCHEMBL1923238 1.00 LMNA (0.36) LMNAPOLBTSHRALDH1A1MGAM
SCHEMBL3818592 0.85 ALDH1A1 (0.41) LMNAPOLBTSHRALDH1A1MGAM
SCHEMBL3824574 0.85 ALDH1A1 (0.41) LMNAPOLBTSHRALDH1A1MGAM
SCHEMBL13908061 0.83 CHRM2 (0.47) POLBTSHRALDH1A1MGAMGAA
SCHEMBL13908060 0.83 CHRM2 (0.47) POLBTSHRALDH1A1MGAMGAA
SCHEMBL12818021 0.79 MGAM (0.44) LMNAPOLBTSHRALDH1A1MGAM
SCHEMBL3913737 0.78 HTR3A (0.35) POLBALDH1A1HTR3AMAPT
SCHEMBL1922997 0.78 HTR3A (0.35) POLBALDH1A1HTR3AMAPT
SCHEMBL3915572 0.78 HTR3A (0.35) POLBALDH1A1HTR3AMAPT
SCHEMBL2104670 0.77 CHRM3 (0.35) HTR3A

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-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
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 LMNA 4137/4885POLB 3924/4885TSHR 84/4885

“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.