SCHEMBL17239705

SCHEMBL17239705

OCCC#CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 2/20 0.32
HTT P42858 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL17239751 0.78 ALDH1A1 (0.44) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2746527 0.72 ALDH1A1 (0.43) ALDH1A1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL17239775 0.72 ALDH1A1 (0.41) ALDH1A1EPHX2
SCHEMBL5000867 0.72 EPHX2 (0.41) ALDH1A1EPHX2
SCHEMBL5000757 0.72 EPHX2 (0.41) ALDH1A1EPHX2
SCHEMBL14993088 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2502273 0.64 ALDH1A1 (0.38) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29905932 0.63 GRIN2D (0.38) ALDH1A1EPHX2GRIN2DGRIN3BGRIN1
SCHEMBL17239706 0.61 CYP2C9 (0.33)
SCHEMBL981922 0.59

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-9382267-B2 Small molecule inhibitors of nicotinamide phosphoribosyltransferase (NAMPT) THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2016-07-05 US disclosed
US-20150322093-A1 SMALL MOLECULE INHIBITORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) THE CURATORS OF THE UNIVERSITY OF MISSOURI 2015-11-12 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-20150322093-A1 SMALL MOLECULE INHIBITORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT ALDH1A1 1886/4885EPHX2 4637/4885HTT 1346/4885

“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.