SCHEMBL4428204

SCHEMBL4428204

CN(C)C(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
TSHR P16473 1/20 0.59
NR1H4 Q96RI1 7/20 0.55
EPHX2 P34913 5/20 0.55
ALDH1A1 P00352 2/20 0.54
SELL P14151 2/20 0.53
SELP P16109 2/20 0.53
SELE P16581 2/20 0.53
MEN1 O00255 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
SCHEMBL20236673 0.83 KMT2A (0.58) KMT2ANR1H4EPHX2ALDH1A1SELL
SCHEMBL1134867 0.83 TSHR (0.60) KMT2ATSHRALDH1A1MEN1
SCHEMBL4508687 0.81 TSHR (0.63) KMT2ATSHRNR1H4EPHX2ALDH1A1
SCHEMBL16994790 0.81 TSHR (0.63) KMT2ATSHRALDH1A1MEN1
SCHEMBL27720379 0.80 NR1H4 (0.58) KMT2ANR1H4MEN1
SCHEMBL5374862 0.79 KMT2A (1.00) KMT2ATSHRNR1H4EPHX2ALDH1A1
SCHEMBL7314826 0.79 KMT2A (0.71) KMT2ATSHRNR1H4EPHX2ALDH1A1
SCHEMBL3503996 0.78 ALDH1A1 (0.81) KMT2ATSHRNR1H4EPHX2ALDH1A1
SCHEMBL10936984 0.77 ALDH1A1 (0.59) KMT2ATSHRNR1H4EPHX2ALDH1A1
SCHEMBL4402768 0.77 EPHX2 (0.66) KMT2ATSHRNR1H4EPHX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 CN disclosed
EP-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 EP disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 KMT2A 3736/4885TSHR 1580/4885NR1H4 366/4885

“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.