SCHEMBL5799451

SCHEMBL5799451

O=C(Nc1ccc2nc3ccccc3nc2c1)C1CCN(c2ccc3ccccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.52
ME3 Q16798 1/20 0.51
POLB P06746 2/20 0.51
ABL1 P00519 3/20 0.50
MALT1 Q9UDY8 1/20 0.50
MAPT P10636 6/20 0.48
RXFP1 Q9HBX9 3/20 0.48
TP53 P04637 2/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL5799776 0.83 ABL1 (0.51) TRPV1ME3ABL1MALT1MAPT
SCHEMBL5799454 0.83 ABL1 (0.48) TRPV1ME3ABL1RXFP1LMNA
SCHEMBL5802998 0.80 ABL1 (0.48) TRPV1ME3ABL1MALT1RXFP1
SCHEMBL5799778 0.80 TRPV1 (0.49) TRPV1ME3ABL1RXFP1LMNA
SCHEMBL5801872 0.76 POLB (0.47) POLBMALT1MAPTRXFP1TP53
SCHEMBL6072140 0.76 HSD17B10 (0.56) ABL1MAPTLMNA
SCHEMBL26131257 0.75 ROCK2 (0.48) TRPV1ME3MALT1EPHX2
SCHEMBL5799831 0.74 NOTUM (0.55) LMNA
SCHEMBL5802659 0.73 TRPV1 (0.76) TRPV1ME3MALT1MAPTTP53
SCHEMBL5802548 0.72 TRPV1 (0.68) TRPV1ME3POLBMALT1MAPT

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 3 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 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 TRPV1 2/4885ME3 2330/4885POLB 4711/4885

“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.