SCHEMBL5801385

SCHEMBL5801385

O=C(Nc1c2ccccc2nc2ccccc12)C1CCN(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.50
VCP P55072 1/20 0.48
ME3 Q16798 1/20 0.46
TP53 P04637 3/20 0.46
MALT1 Q9UDY8 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK2 O60674 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
EPHX1 P07099 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ALOX15 P16050 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
SCHEMBL5799776 0.86 ABL1 (0.51) TRPV1ME3TP53MALT1USP2
SCHEMBL5801390 0.85 TRPV1 (0.52) TRPV1VCPME3MALT1TSHR
SCHEMBL5802992 0.81 TRPV1 (0.75) TRPV1VCPME3TP53MALT1
SCHEMBL6072333 0.81 TRPV1 (0.54) TRPV1VCPME3MALT1JAK2
SCHEMBL5799181 0.77 NOTUM (0.59) TP53TSHRMAPK1HSD17B10USP2
SCHEMBL5802758 0.76 HSD17B10 (0.58) VCPTSHRHSD17B10SMN1; SMN2LMNA
SCHEMBL5799778 0.74 TRPV1 (0.49) TRPV1ME3TSHRUSP2LMNA
SCHEMBL6071865 0.74 MALT1 (0.50) TRPV1VCPME3MALT1TSHR
SCHEMBL5798738 0.73 TRPV1 (0.53) TRPV1ME3TP53MALT1TSHR
SCHEMBL6072397 0.73 TRPV1 (0.68) TRPV1ME3TP53MALT1HSD17B10

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
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 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 TRPV1 2/4885VCP 869/4885ME3 2330/4885

“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.