SCHEMBL6072444

SCHEMBL6072444

O=C(Nc1ncnc2ccccc12)C1CCN(c2ccc3scnc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.45
MALT1 Q9UDY8 1/20 0.44
RIPK2 O43353 2/20 0.41
RIPK3 Q9Y572 1/20 0.41
PHGDH O43175 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
KDR P35968 1/20 0.40
GSK3B P49841 1/20 0.40
ME3 Q16798 1/20 0.40
CHRM1 P11229 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MMP2 P08253 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL5802533 0.83 ADORA3 (0.51) MALT1PHGDHTRPV1KDRGSK3B
SCHEMBL6072197 0.83 CHRM5 (0.45) CHRM5TRPV1ME3CHRM1HSD17B10
SCHEMBL5799490 0.80 CHRM5 (0.49) CHRM5TRPV1ME3CHRM1HSD17B10
SCHEMBL6072388 0.79 TRPV1 (0.64) CHRM5TRPV1ME3CHRM1HSD17B10
SCHEMBL5802788 0.78 PHGDH (0.67) PHGDHTRPV1HSD17B10
SCHEMBL6072349 0.77 CHRM5 (0.63) CHRM5GSK3BME3HSD17B10
SCHEMBL6072188 0.76 CHRM5 (0.45) CHRM5TRPV1
SCHEMBL5798538 0.76 PDE3B (0.46) CHRM5HSD17B10MMP2ADAMTS5
SCHEMBL27832334 0.73 GSK3B (0.57) KDRGSK3BADORA3
SCHEMBL27305836 0.70 UCHL1 (0.54) ADORA3

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
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

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 CHRM5 1551/4885MALT1 2441/4885RIPK2 2581/4885

“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.