SCHEMBL2804278

SCHEMBL2804278

CC(C)(C)OC(=O)C1CCCN1.OBO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN5A Q14524 1/20 0.39
DPP4 P27487 6/20 0.36
DPP8 Q6V1X1 4/20 0.36
DPP9 Q86TI2 4/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
PRCP P42785 1/20 0.36
SCN4A P35499 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL248746 0.95 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL248747 0.95 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL40093 0.95 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
Bromide SCHEMBL27517782 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL661789 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL661790 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL596114 0.93 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Oxalic Acid SCHEMBL9353931 0.90 DPP4 (0.40) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL7384762 0.90 SCN9A (0.37) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL7384758 0.90 SCN9A (0.37) SCN9ASCN3ASCN5ADPP4DPP8

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-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 US disclosed
WO-2010107809-A2 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-09-23 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 (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-20100240611-A1 METHODS FOR PREPARING DPP-IV INHIBITOR COMPOUNDS DPP4, DPP3, DPP7 SCN9A 2197/4885SCN3A 1876/4885SCN5A 1584/4885

“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.