SCHEMBL9944478

SCHEMBL9944478

CC(C)(C)CC(=O)N1CCc2[nH]ncc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.43
ENPP2 Q13822 2/20 0.42
NAMPT P43490 5/20 0.42
NR1H2 P55055 1/20 0.38
PDK2 Q15119 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
GRM5 P41594 1/20 0.36
CNR2 P34972 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
RORC P51449 1/20 0.35
OGA O60502 1/20 0.34

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
SCHEMBL12821125 0.85 CREBBP (0.50) SPRENPP2NAMPTBRD4CREBBP
SCHEMBL13373596 0.82 RIPK1 (0.48) SPRENPP2NAMPTNR1H2PDK2
SCHEMBL13373469 0.81 SPR (0.43) SPRENPP2NAMPTBRD4CREBBP
SCHEMBL13373417 0.80 NOTUM (0.50) SPRNAMPTBRD4CREBBP
SCHEMBL18334871 0.79 SPR (0.40) SPRENPP2NAMPTNR1H2PDK2
SCHEMBL1018783 0.78 NR1H2 (0.58) SPRNAMPTNR1H2
SCHEMBL15156435 0.78 NAMPT (0.47) SPRENPP2NAMPTNR1H2PDK2
SCHEMBL5119961 0.77 NAMPT (0.46) SPRENPP2NAMPTNR1H2PDK2
SCHEMBL6110578 0.77 LMNA (0.47) SPRENPP2NAMPTNR1H2GRM5
SCHEMBL13373502 0.76 SPR (0.45) SPRENPP2NAMPTNR1H2OGA

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 SPR 320/4885ENPP2 249/4885NAMPT 1272/4885

“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.