SCHEMBL5801441

SCHEMBL5801441

O=C(Nc1ncnc2sccc12)C1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.55
NOTUM Q6P988 1/20 0.48
PHGDH O43175 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.45
F10 P00742 1/20 0.44
NR2F2 P24468 1/20 0.44
STAT3 P40763 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5802788 0.84 PHGDH (0.67) TRPV1NOTUMPHGDHMEN1KMT2A
SCHEMBL19001385 0.76 HTR2C (0.58) MEN1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5802756 0.73 TRPV1 (0.63) TRPV1NOTUMMEN1KMT2AALDH1A1
SCHEMBL5802759 0.72 TRPV1 (0.66) TRPV1NOTUMMEN1KMT2AALDH1A1
SCHEMBL5802617 0.71 TRPV1 (1.00) TRPV1NOTUMMEN1KMT2AALDH1A1
SCHEMBL21900758 0.71 HTR2C (0.53) PHGDHMEN1KMT2AALDH1A1LMNA
SCHEMBL4334462 0.71 NOTUM (0.85) TRPV1NOTUMALDH1A1LMNAUSP2
SCHEMBL30173256 0.71 NOTUM (0.85) TRPV1NOTUMALDH1A1LMNAUSP2
SCHEMBL1553559 0.70 FDPS (0.43) ALDH1A1TSHRSMN1; SMN2HTTNR2F2
SCHEMBL31381163 0.70 NOTUM (0.70) TRPV1NOTUMMEN1KMT2AALDH1A1

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
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 2/4885NOTUM 3548/4885PHGDH 3571/4885

“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.