SCHEMBL4988751

SCHEMBL4988751

CCOC(=O)C(NC(=O)c1cn(C)cn1)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM5A P29375 1/20 0.33
TGM2 P21980 1/20 0.33
SMYD3 Q9H7B4 2/20 0.33
KCNA3 P22001 1/20 0.33
NTRK1 P04629 1/20 0.33
CYP26A1 O43174 1/20 0.33

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
SCHEMBL4988236 0.80 GSK3B (0.37) GRM2GSK3BDYRK1APRMT5WDR77
SCHEMBL12443623 0.80 CNR1 (0.40) GRM2SMN1; SMN2GSK3BDYRK1APRMT5
SCHEMBL4988760 0.78 GRM2 (0.36) GRM2PRMT5WDR77KCNA3NTRK1
SCHEMBL5591480 0.77 NOTUM (0.52) LMNANOTUM
SCHEMBL3405237 0.75 GAA (0.42) LMNASMN1; SMN2NOTUMGSK3BKDM5A
SCHEMBL4990651 0.74 RAB9A (0.44) LMNASMN1; SMN2
SCHEMBL14701616 0.74 TAS1R3 (0.40) GRM2GSK3BDYRK1APRMT5WDR77
SCHEMBL14704024 0.74 NTRK1 (0.38) GRM2GSK3BDYRK1AKDM5ATGM2
SCHEMBL14704051 0.74 NTRK1 (0.38) GRM2GSK3BDYRK1AKDM5ATGM2
SCHEMBL4990228 0.74 MAPT (0.48) LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R GRM2 978/4885LMNA 4633/4885SMN1; SMN2 3713/4885

“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.