SCHEMBL9946331

SCHEMBL9946331

CCCCN1CCn2ncnc2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
DRD2 P14416 4/20 0.34
DRD3 P35462 4/20 0.34
SIGMAR1 Q99720 2/20 0.34
SLC2A2 P11168 1/20 0.34
ABCB1 P08183 1/20 0.33
KDM1A O60341 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
SCHEMBL25159823 0.94 ALDH1A1 (0.41) SLC2A1LMNAABCB1
SCHEMBL17722607 0.90 SLC2A1 (0.39) SLC2A1LMNAMAPTDRD2DRD3
SCHEMBL9944468 0.79 SLC2A1 (0.35) SLC2A1SLC2A2
SCHEMBL17718790 0.75 SLC2A1 (0.36) SLC2A1SLC2A2
SCHEMBL23085724 0.75 PIK3CD (0.41) SLC2A1MAPTSLC2A2
SCHEMBL18198137 0.71 DRD2 (0.41) DRD2DRD3SIGMAR1KDM1A
SCHEMBL19578695 0.70 TLR8 (0.41) LMNASIGMAR1ABCB1
SCHEMBL22540345 0.69 DPP4 (0.40)
SCHEMBL19286108 0.69 TLR8 (0.41) LMNAABCB1
SCHEMBL9946441 0.67 DPP4 (0.36)

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-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 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-20120149683-A1 SUBSTITUTED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 SLC2A1 91/4885LMNA 3674/4885TP53 4162/4885

“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.