SCHEMBL5798736

SCHEMBL5798736

CC(=O)N1c2cc([N+](=O)[O-])ccc2CC1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
KDM4E B2RXH2 1/20 0.67
NOTUM Q6P988 1/20 0.56
TNF P01375 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
GAA P10253 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 3/20 0.45
PNMT P11086 3/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL7416582 0.89 KDM4E (0.67) MAPTKDM4ENOTUMTNFNOD2
SCHEMBL4611589 0.80 ALDH1A1 (0.50) MAPTKDM4EGAAHTTPNMT
SCHEMBL5144014 0.78 KDM4E (0.58) MAPTKDM4ENOTUMTNFNOD2
SCHEMBL5798751 0.77 NOTUM (0.62) MAPTKDM4ENOTUMTNFNOD2
SCHEMBL6216072 0.76 MAPT (0.45) MAPTKDM4ETNFNOD2NOD1
SCHEMBL8946666 0.76 MAPT (0.49) MAPTKDM4ETNFNOD2NOD1
SCHEMBL8946659 0.76 MAPT (0.49) MAPTKDM4ETNFNOD2NOD1
SCHEMBL8946662 0.76 MAPT (0.49) MAPTKDM4ETNFNOD2NOD1
SCHEMBL32673839 0.75 NOTUM (0.56) MAPTNOTUMTNFNOD2NOD1
SCHEMBL29737224 0.75 NOTUM (0.56) NOTUMTNFNOD2NOD1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 MAPT 4590/4885KDM4E 2664/4885NOTUM 3548/4885

“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.