SCHEMBL9944481

SCHEMBL9944481

CC(C)(C)CC(=O)N1CCc2oncc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
NAMPT P43490 3/20 0.36
GRM5 P41594 1/20 0.36
FAAH O00519 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SYK P43405 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRM1 Q13255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NLRP3 Q96P20 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
CYP3A4 P08684 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL15492432 0.85 HPGDS (0.43) NAMPTGRM5SYKMEN1KMT2A
SCHEMBL13194712 0.82 RYR2 (0.36) SYKMEN1KMT2AKDM4EDPP7
SCHEMBL15490051 0.81 NAMPT (0.40) NAMPTMEN1KMT2ADPP7ALDH1A1
SCHEMBL14970401 0.80 NOTUM (0.50) NAMPTSYKMEN1KMT2A
SCHEMBL20424296 0.78 MEN1 (0.35) SYKMEN1KMT2AALDH1A1CYP3A4
SCHEMBL19722806 0.77 SYK (0.35) SYKMEN1KMT2AALDH1A1CYP3A4
SCHEMBL2588873 0.76 ADORA2A (0.42) NAMPTFAAHKDM4EALDH1A1
SCHEMBL16219041 0.76 JAK2 (0.41) NAMPTSYKKDM4EALDH1A1JAK2
SCHEMBL2582670 0.74 KMT2A (0.55) MEN1KMT2AKDM4EALDH1A1
SCHEMBL9944478 0.73 SPR (0.43) FNTAFNTBNAMPTGRM5CNR2

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 FNTA 1407/4885FNTB 2398/4885NAMPT 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.