SCHEMBL9944477

SCHEMBL9944477

CC(C)(C)CC(=O)N1Cc2c[nH]nc2C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.36
JAK1 P23458 1/20 0.34
NR1H2 P55055 1/20 0.33
FAAH O00519 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM4 P08173 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
CNR2 P34972 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
SCHEMBL2344939 0.78 NR1H2 (0.50) NAMPTNR1H2SMN1; SMN2
SCHEMBL23518496 0.76 HDAC6 (0.41) NAMPTNR1H2FAAHFNTAFNTB
SCHEMBL13127512 0.73 NOTUM (0.55) NAMPT
SCHEMBL11929919 0.69 NAMPT (0.59) NAMPT
SCHEMBL13070270 0.69 KDM4E (0.54) NAMPTSMN1; SMN2
SCHEMBL2132733 0.69 ESR2 (0.53) NAMPTNR1H2SMN1; SMN2
SCHEMBL19005682 0.69 ESR2 (0.53) NR1H2SMN1; SMN2GRM5
SCHEMBL9944478 0.68 SPR (0.43) NAMPTNR1H2GRM5FNTAFNTB
SCHEMBL19203378 0.67
SCHEMBL24535216 0.67 ESR2 (0.48) NR1H2SMN1; 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 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 NAMPT 1272/4885JAK1 3139/4885NR1H2 2810/4885

“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.