SCHEMBL2607754

SCHEMBL2607754

CN(C)CCCSc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
HTR7 P34969 3/20 0.47
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GP6 Q9HCN6 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL2607563 0.90 HTR7 (0.59) HTR1BALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL6293960 0.84 IFNAR1 (0.43) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL2607673 0.81 TLR8 (0.50) HTR1BALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL30417186 0.79 PTGS2 (0.49) ALDH1A1LMNAMAPK1MAPTNPSR1
SCHEMBL18758015 0.79 PTGS2 (0.49) ALDH1A1LMNAMAPK1MAPTNPSR1
SCHEMBL7436457 0.78 SIGMAR1 (0.55) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL5316461 0.78 PTGS2 (0.50) ALDH1A1LMNAMAPK1SMN1; SMN2RAD52
SCHEMBL25738323 0.78 PTGS2 (0.50) ALDH1A1LMNAMAPK1SMN1; SMN2RAD52
SCHEMBL11552030 0.77 HTR1B (0.47) HTR1BALDH1A1LMNAMAPK1NPY1R
SCHEMBL8044798 0.77 IFNAR1 (0.39) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT

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 HTR1B 81/4885ALDH1A1 3676/4885LMNA 4749/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B HTR1B 81/4885ALDH1A1 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.