SCHEMBL5801907

SCHEMBL5801907

O=C(O)C1CCN(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.57
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C19 P33261 1/20 0.49
SCN9A Q15858 1/20 0.47
CHRM2 P08172 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
PDK2 Q15119 1/20 0.45
AKR1C3 P42330 1/20 0.44
NPY5R Q15761 1/20 0.44
NEK2 P51955 1/20 0.44

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
SCHEMBL6499990 0.86 FFAR4 (0.58) NOTUMCYP2C19FFAR4PDK2
SCHEMBL5798541 0.84 CHRM2 (0.54) NOTUMKDM4EUSP2HPGDNPSR1
SCHEMBL2561915 0.84 TDP1 (0.54) NOTUMCYP2C19SCN9A
SCHEMBL5799166 0.83 NOTUM (0.58) NOTUMKDM4ECYP2C19PDK2NPY5R
SCHEMBL1749207 0.82 NOTUM (0.81) NOTUMKDM4EHPGDNPSR1HSD17B10
SCHEMBL2941018 0.81 NOTUM (0.64) NOTUM
SCHEMBL3101108 0.80 MAPT (0.47) NOTUMKDM4EHPGDHSD17B10NPY5R
SCHEMBL3095092 0.80 HPGD (0.50) NOTUMKDM4EHPGDHSD17B10NPY5R
SCHEMBL2073107 0.80 NOTUM (0.81) NOTUMKDM4EUSP2HPGDNPSR1
SCHEMBL3109861 0.79 HPGD (0.53) NOTUMKDM4EHPGDHSD17B10

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 4 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 claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO 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 NOTUM 3548/4885KDM4E 2664/4885USP2 3489/4885

“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.