SCHEMBL702046

SCHEMBL702046

CCOC(=O)N1CC[C@H](N)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
NOS3 P29474 1/20 0.51
NOS2 P35228 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
CHRM1 P11229 1/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL655620 1.00 GAA (0.59) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL655621 1.00 GAA (0.59) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL3467786 0.89 GAA (0.51) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL27971402 0.89 GAA (0.51) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL382565 0.89 GAA (0.68) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL2778567 0.85 SMN1; SMN2 (0.53) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL323088 0.85 SMN1; SMN2 (0.53) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL4592901 0.84 MAPT (0.59) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL3101217 0.84 GAA (0.57) GAANOS3NOS2L3MBTL1CHRM1
SCHEMBL3101223 0.84 GAA (0.57) GAANOS3NOS2L3MBTL1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US claimed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US 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
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 (2 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT GAA 191/4885NOS3 3214/4885NOS2 2735/4885
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia CHRM1, CHRM2, CHRM5 GAA 2332/4885NOS3 1184/4885NOS2 1496/4885

“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.