SCHEMBL5799776

SCHEMBL5799776

O=C(Nc1c2ccccc2nc2ccccc12)C1CCN(c2ccc3ccccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.51
ME3 Q16798 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
TP53 P04637 2/20 0.46
GSK3B P49841 1/20 0.46
HCAR2 Q8TDS4 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
EPHX1 P07099 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 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
SCHEMBL5801385 0.86 TRPV1 (0.50) ME3TRPV1TP53HCAR2LMNA
SCHEMBL5799778 0.85 TRPV1 (0.49) ABL1ME3TRPV1HCAR2LMNA
SCHEMBL5799451 0.83 TRPV1 (0.52) ABL1ME3TRPV1TP53LMNA
SCHEMBL5799454 0.81 ABL1 (0.48) ABL1ME3TRPV1GSK3BHCAR2
SCHEMBL5799831 0.77 NOTUM (0.55) HCAR2LMNAUSP2
SCHEMBL6072140 0.76 HSD17B10 (0.56) ABL1GSK3BLMNAMAPTALDH1A1
SCHEMBL5801390 0.74 TRPV1 (0.52) ME3TRPV1HCAR2LMNAMAPT
SCHEMBL5798738 0.73 TRPV1 (0.53) ABL1ME3TRPV1TP53HCAR2
SCHEMBL5802998 0.72 ABL1 (0.48) ABL1ME3TRPV1LMNAMALT1
SCHEMBL16695200 0.72 NOTUM (0.69)

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 4 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 claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO 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 ABL1 3942/4885ME3 2330/4885TRPV1 2/4885

“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.