SCHEMBL2607563

SCHEMBL2607563

CN(C)CCSc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.59
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 1/20 0.52
RAD52 P43351 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
TOP2A P11388 1/20 0.48
HTR1B P28222 3/20 0.47
HTR1A P08908 3/20 0.46
HTR2A P28223 3/20 0.46
DRD2 P14416 2/20 0.46

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
SCHEMBL2607754 0.90 HTR1B (0.51) HTR7ALDH1A1LMNAMAPK1MAPT
SCHEMBL2607777 0.79 IFNAR1 (0.45) ALDH1A1LMNAMAPK1MAPTRAD52
SCHEMBL1493101 0.79 ALDH1A1 (0.44) HTR7ALDH1A1LMNAMAPK1MAPT
SCHEMBL6293960 0.79 IFNAR1 (0.43) ALDH1A1LMNAMAPK1MAPTRAD52
SCHEMBL2607673 0.76 TLR8 (0.50) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL10682343 0.76 RAD52 (0.41) HTR7ALDH1A1LMNAMAPK1MAPT
SCHEMBL1493098 0.76 IFNAR1 (0.41) ALDH1A1LMNAMAPK1MAPTRAD52
SCHEMBL29137793 0.76 IFNAR1 (0.41) ALDH1A1LMNAMAPK1MAPTRAD52
SCHEMBL8038665 0.76 IFNAR1 (0.41) ALDH1A1LMNAMAPK1MAPTRAD52
SCHEMBL2607764 0.76 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2

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-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B HTR7 228/4885ALDH1A1 3676/4885LMNA 4749/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B HTR7 228/4885ALDH1A1 3676/4885LMNA 4749/4885

“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.