SCHEMBL1765212

SCHEMBL1765212

CC(C)(c1ccc(OC[C@@H]2Cn3c(nc4cc(C#N)ccc43)O2)c(F)n1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.36
CNR2 P34972 2/20 0.33
GRM2 Q14416 3/20 0.32
DRD4 P21917 1/20 0.32
CYP2C19 P33261 1/20 0.32
MCHR1 Q99705 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL1511934 0.92 GRM2 (0.35) IDH1CNR2GRM2DRD4CYP2C19
SCHEMBL1765301 0.85 IDH1 (0.38) IDH1CNR2GRM2SMN1; SMN2NPSR1
SCHEMBL12649282 0.83 SMN1; SMN2 (0.36) IDH1CNR2GRM2DRD4CYP2C19
SCHEMBL1511800 0.82 GRM2 (0.35) IDH1CNR2GRM2DRD4CYP2C19
SCHEMBL1512637 0.82 DRD4 (0.37) IDH1CNR2GRM2DRD4CYP2C19
SCHEMBL2454633 0.78 GRM2 (0.41) IDH1CNR2GRM2SMN1; SMN2NPSR1
SCHEMBL1511916 0.78 GRM2 (0.41) IDH1CNR2GRM2SMN1; SMN2NPSR1
SCHEMBL1245592 0.77 GRM2 (0.52) IDH1GRM2CYP2C19SMN1; SMN2NPSR1
SCHEMBL1511669 0.76 GRM2 (0.39) IDH1CNR2GRM2SMN1; SMN2NPSR1
SCHEMBL1512867 0.76 KDM4E (0.34) IDH1CNR2GRM2MCHR1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US claimed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
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 IDH1 1046/4885CNR2 95/4885GRM2 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.