SCHEMBL6072197

SCHEMBL6072197

O=C(Nc1nncc2ccccc12)C1CCN(c2ccc3scnc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.45
TRPV1 Q8NER1 1/20 0.42
ABL1 P00519 5/20 0.40
CHRM1 P11229 1/20 0.38
ME3 Q16798 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6072188 0.85 CHRM5 (0.45) CHRM5TRPV1ABL1USP2ALDH1A1
SCHEMBL6072444 0.83 CHRM5 (0.45) CHRM5TRPV1CHRM1ME3HSD17B10
SCHEMBL5799490 0.81 CHRM5 (0.49) CHRM5TRPV1ABL1CHRM1ME3
SCHEMBL6072388 0.81 TRPV1 (0.64) CHRM5TRPV1CHRM1ME3HSD17B10
SCHEMBL5801985 0.77 HSD17B10 (0.43) USP2ALDH1A1HSD17B10
SCHEMBL6072349 0.77 CHRM5 (0.63) CHRM5ME3HSD17B10
SCHEMBL6072343 0.74 RIPK1 (0.50) USP2ALDH1A1
SCHEMBL5798538 0.74 PDE3B (0.46) CHRM5USP2HSD17B10
SCHEMBL4582698 0.73 ULK1 (0.47) ALDH1A1
SCHEMBL5802630 0.68 MALT1 (0.46) TRPV1ME3USP2ALDH1A1

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 1551/4885TRPV1 2/4885ABL1 3942/4885

“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.