SCHEMBL2454633

SCHEMBL2454633

CC(C)(C)c1ccc(OCC2Cn3c(nc4cc(C#N)ccc43)O2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR9 P51686 1/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
IDH1 O75874 6/20 0.36
CNR2 P34972 2/20 0.35

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
SCHEMBL1511916 1.00 GRM2 (0.41) GRM2SMN1; SMN2NPSR1CCR9POLB
SCHEMBL1765583 0.93 GRM2 (0.41) GRM2SMN1; SMN2NPSR1CCR9POLB
SCHEMBL1765301 0.91 IDH1 (0.38) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1245592 0.89 GRM2 (0.52) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1511669 0.87 GRM2 (0.39) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1512162 0.87 GRM2 (0.39) GRM2SMN1; SMN2NPSR1CCR9POLB
SCHEMBL8007502 0.87 GRM2 (0.39) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1765157 0.87 GRM2 (0.39) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1511789 0.86 KDM4E (0.41) GRM2SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL1512228 0.86 GRM2 (0.38) GRM2SMN1; SMN2NPSR1POLBKMT2A

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
US-8735397-B2 Method for treating schizophrenia and related diseases VANDERBILT UNIVERSITY (US) 2014-05-27 US disclosed
US-20110237602-A1 METHOD FOR TREATING SCHIZOPHRENIA AND RELATED DISEASES VANDERBILT UNIVERSITY (US) 2011-09-29 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-20110237602-A1 METHOD FOR TREATING SCHIZOPHRENIA AND RELATED DISEASES GRM2, GRIA2, GRIK2 GRM2 1/4885SMN1; SMN2 1385/4885NPSR1 141/4885

“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.