SCHEMBL5801425

SCHEMBL5801425

O=C(Nc1ncnc2nccnc12)C1CCN(c2csc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
CYP46A1 Q9Y6A2 2/20 0.39
MALT1 Q9UDY8 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TYK2 P29597 1/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDR P35968 1/20 0.36
GSK3B P49841 1/20 0.36
THRB P10828 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL6072204 0.77 CYP46A1 (0.41) CYP46A1KDM4ETYK2TP53L3MBTL1
SCHEMBL5803071 0.74 SMN1; SMN2 (0.56) HSD17B10CYP46A1MALT1TP53MAPT
SCHEMBL5801876 0.73 ALDH1A1 (0.45) HSD17B10KDM4ETP53L3MBTL1RXFP1
SCHEMBL5798515 0.72 NOTUM (0.48) KDM4ETP53L3MBTL1MAPTHTT
SCHEMBL5801872 0.72 POLB (0.47) HSD17B10MALT1TP53L3MBTL1MAPT
SCHEMBL5802533 0.66 ADORA3 (0.51) HSD17B10CYP46A1MALT1KDRGSK3B
SCHEMBL15775448 0.65 NPC1 (0.56) HSD17B10KDM4ETP53L3MBTL1RXFP1
SCHEMBL5799977 0.65 MALT1 (0.53) HSD17B10MALT1KDM4ETP53L3MBTL1
SCHEMBL6072444 0.64 CHRM5 (0.45) HSD17B10MALT1KDRGSK3B
SCHEMBL5801373 0.64 ME3 (0.51) HSD17B10MALT1TP53MAPTMEN1

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
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 HSD17B10 3088/4885CYP46A1 3558/4885MALT1 2441/4885

“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.