SCHEMBL5767231

SCHEMBL5767231

CSc1ccccc1CNN(C=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
P2RX7 Q99572 2/20 0.31
TDP1 Q9NUW8 2/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL5373022 0.77 ADH1B (0.42) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL7061210 0.71 SMN1; SMN2 (0.42) CHRM2L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL513576 0.70 CHRM2 (0.57) CHRM2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL7059655 0.69 TSHR (0.41) CHRM2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL7061205 0.69 RAB9A (0.40) L3MBTL1ALDH1A1LMNAKDM4EGAA
SCHEMBL10245653 0.68 CHRM2 (0.54) CHRM2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL5767016 0.68 MMP8 (0.39) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL4477248 0.68 KCNA5 (0.49) CHRM2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL7062957 0.68 CYP2A6 (0.50) KMT2AMEN1
SCHEMBL7064438 0.68 CYP1A2 (0.49) CHRM2MAPTALDH1A1LMNAKMT2A

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
EP-1244660-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-03-22 EP disclosed
US-20030181449-A1 Methods and compositions for the treatment of pain ASTRAZENCA AB (SE) 2003-09-25 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-20030181449-A1 Methods and compositions for the treatment of pain OPRK1, ACHE, OPRD1 CHRM2 69/4885L3MBTL1 2331/4885MAPT 2472/4885

“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.