SCHEMBL2994429

SCHEMBL2994429

O=C([C@@H]1CCCO1)N1CC[C@H](N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.59
CHRM2 P08172 4/20 0.59
CHRM4 P08173 4/20 0.59
CHRM3 P20309 3/20 0.58
CHRM5 P08912 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SLC18A3 Q16572 1/20 0.54
HSD11B1 P28845 4/20 0.52
CALCRL Q16602 2/20 0.50
PLD1 Q13393 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL2991925 0.85 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL4402050 0.82 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2996511 0.82 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2993157 0.82 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3411560 0.79 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2997074 0.79 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL13243458 0.79 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2992842 0.77 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL3003287 0.77 CHRM1 (0.88) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL2993333 0.77 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM3CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US claimed
EP-2035412-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA Astra Zeneca AB (SE) 2009-03-18 EP claimed
WO-2007142585-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 WO claimed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
EP-2035412-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142585-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 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-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia CHRM1, CHRM2, CHRM5 CHRM1 1/4885CHRM2 2/4885CHRM4 4/4885

“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.