SCHEMBL5798541

SCHEMBL5798541

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.54
NOTUM Q6P988 11/20 0.53
FFAR4 Q5NUL3 1/20 0.48
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C19 P33261 1/20 0.47
TRPV1 Q8NER1 2/20 0.45
PDK2 Q15119 1/20 0.44
SCN9A Q15858 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
SCHEMBL5801907 0.84 NOTUM (0.57) CHRM2NOTUMFFAR4KDM4EUSP2
SCHEMBL5799877 0.83 NOTUM (0.60) CHRM2NOTUMFFAR4PDK2
SCHEMBL30754976 0.80 NOTUM (0.63) NOTUMFFAR4PDK2
SCHEMBL2071040 0.80 NOTUM (0.63) NOTUMFFAR4PDK2
SCHEMBL22635951 0.79 NOTUM (0.49) CHRM2NOTUMTRPV1
SCHEMBL2073107 0.79 NOTUM (0.81) CHRM2NOTUMFFAR4KDM4EUSP2
SCHEMBL25337772 0.78 NOTUM (0.63) NOTUM
SCHEMBL17384692 0.78 NOTUM (0.63) NOTUM
SCHEMBL25337769 0.78 NOTUM (0.63) NOTUM
Hydrochloric Acid SCHEMBL29458447 0.78 NOTUM (0.48) CHRM2NOTUMTRPV1

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
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
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 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 CHRM2 1497/4885NOTUM 3548/4885FFAR4 189/4885

“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.