SCHEMBL6072349

SCHEMBL6072349

O=C(Nc1cccnc1)C1CCN(c2ccc3scnc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 9/20 0.63
NAMPT P43490 2/20 0.57
PKM P14618 1/20 0.51
CHRM4 P08173 1/20 0.49
HSD17B10 Q99714 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ME3 Q16798 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL6072388 0.83 TRPV1 (0.64) CHRM5HSD17B10ME3KDM4E
SCHEMBL5799490 0.78 CHRM5 (0.49) CHRM5HSD17B10ME3
SCHEMBL6072188 0.77 CHRM5 (0.45) CHRM5
SCHEMBL26347535 0.77 CHRM5 (1.00) CHRM5
SCHEMBL5798538 0.77 PDE3B (0.46) CHRM5HSD17B10KDM4E
SCHEMBL6072444 0.77 CHRM5 (0.45) CHRM5HSD17B10GSK3BME3
SCHEMBL6072197 0.77 CHRM5 (0.45) CHRM5HSD17B10ME3
SCHEMBL30410549 0.75 CHRM5 (0.91) CHRM5
SCHEMBL26347578 0.75 CHRM5 (0.91) CHRM5
SCHEMBL26347579 0.75 CHRM5 (0.91) CHRM5

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 1551/4885NAMPT 1163/4885PKM 3255/4885

“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.