SCHEMBL5798527

SCHEMBL5798527

N#Cc1c(N2CCC(C(=O)O)CC2)cccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.59
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.46
TNKS O95271 4/20 0.46
TNKS2 Q9H2K2 4/20 0.46
SERPINE1 P05121 3/20 0.46
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL13622678 0.84 KHK (0.48) NOTUMGAAKDM4EDPP4DPP8
SCHEMBL2557573 0.83 KDM4E (0.67) NOTUMGAAKDM4EDPP4DPP9
SCHEMBL5799674 0.83 NOTUM (0.65) NOTUMSERPINE1
SCHEMBL29954991 0.83 NOTUM (0.65) NOTUMSERPINE1
SCHEMBL2558768 0.82 GAA (0.78) NOTUMGAAKDM4ECYP2C19
Trifluoroacetic Acid SCHEMBL4359200 0.82 FFAR4 (0.47) NOTUMGAAKDM4EDPP4DPP8
SCHEMBL2555803 0.81 GAA (0.57) NOTUMGAAKDM4ECYP2C19
SCHEMBL16792970 0.78 KDM4E (0.58) GAAKDM4EDPP4DPP8DPP9
SCHEMBL4359206 0.77 DPP4 (0.43) NOTUMGAAKDM4ETNKSTNKS2
SCHEMBL3089450 0.76 EPHX2 (0.51) KDM4ECYP2C9CYP2C19

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 NOTUM 3548/4885GAA 4677/4885KDM4E 2664/4885

“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.