SCHEMBL12649282

SCHEMBL12649282

Cc1nc(C(C)(C)C)ccc1OC[C@@H]1Cn2c(nc3cc(C#N)ccc32)O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 3/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 4/20 0.35
DRD4 P21917 1/20 0.34
CCR9 P51686 1/20 0.34
IDH1 O75874 3/20 0.33
MCHR1 Q99705 1/20 0.32
SSTR4 P31391 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1511934 0.91 GRM2 (0.35) SMN1; SMN2NPSR1GRM2CYP2C19CNR2
SCHEMBL1512637 0.91 DRD4 (0.37) SMN1; SMN2NPSR1GRM2CYP2C19CNR2
SCHEMBL1511800 0.91 GRM2 (0.35) SMN1; SMN2NPSR1GRM2CYP2C19CNR2
SCHEMBL2454633 0.85 GRM2 (0.41) SMN1; SMN2NPSR1GRM2CNR2CCR9
SCHEMBL1511916 0.85 GRM2 (0.41) SMN1; SMN2NPSR1GRM2CNR2CCR9
SCHEMBL1511669 0.83 GRM2 (0.39) SMN1; SMN2NPSR1GRM2CNR2IDH1
SCHEMBL1765212 0.83 IDH1 (0.36) SMN1; SMN2NPSR1GRM2CYP2C19CNR2
SCHEMBL1245592 0.83 GRM2 (0.52) SMN1; SMN2NPSR1GRM2CYP2C19IDH1
SCHEMBL1512296 0.81 GRM2 (0.34) SMN1; SMN2NPSR1GRM2CNR2IDH1
SCHEMBL1511726 0.81 GRM2 (0.34) SMN1; SMN2NPSR1GRM2CNR2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 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-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 SMN1; SMN2 1055/4885NPSR1 306/4885GRM2 1/4885

“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.