SCHEMBL6072333

SCHEMBL6072333

O=C(Nc1ncc2ccccc2n1)C1CCN(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
VCP P55072 1/20 0.47
JAK2 O60674 2/20 0.46
ADORA1 P30542 4/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ABL1 P00519 3/20 0.45
JAK1 P23458 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CYP46A1 Q9Y6A2 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
DHFR P00374 1/20 0.43
ME3 Q16798 1/20 0.43
MALT1 Q9UDY8 1/20 0.43

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
SCHEMBL6072123 0.85 TRPV1 (0.56) TRPV1ABL1HCAR2DHFR
SCHEMBL5802992 0.83 TRPV1 (0.75) TRPV1VCPJAK2HCAR2CYP46A1
SCHEMBL5801390 0.81 TRPV1 (0.52) TRPV1VCPHCAR2ME3MALT1
SCHEMBL5801385 0.81 TRPV1 (0.50) TRPV1VCPJAK2ADORA1ADORA3
SCHEMBL6072397 0.76 TRPV1 (0.68) TRPV1JAK2HCAR2CYP46A1ME3
SCHEMBL5802758 0.75 HSD17B10 (0.58) VCPMKNK1
SCHEMBL5802659 0.75 TRPV1 (0.76) TRPV1HCAR2ME3MALT1
SCHEMBL5799181 0.74 NOTUM (0.59)
SCHEMBL18376734 0.74 JAK2 (0.56) JAK2ABL1JAK1
SCHEMBL6071865 0.73 MALT1 (0.50) TRPV1VCPCYP46A1ME3MALT1

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 TRPV1 2/4885VCP 869/4885JAK2 3778/4885

“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.