SCHEMBL5801322

SCHEMBL5801322

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.70
POLB P06746 2/20 0.63
TRPV1 Q8NER1 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR1D P28221 1/20 0.55
HTR2C P28335 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
TSHR P16473 3/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
SERPINE1 P05121 2/20 0.53

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
SCHEMBL4334462 0.87 NOTUM (0.85) NOTUMPOLBTRPV1ALDH1A1HTR3E
SCHEMBL30173256 0.87 NOTUM (0.85) NOTUMPOLBTRPV1ALDH1A1HTR3E
SCHEMBL31381163 0.86 NOTUM (0.70) NOTUMPOLBTRPV1ALDH1A1HTR3E
Hydrochloric Acid SCHEMBL34469418 0.85 NOTUM (0.68) NOTUMPOLBTRPV1ALDH1A1HTR3E
SCHEMBL3099667 0.83 POLB (0.81) NOTUMPOLBTRPV1ALDH1A1TSHR
SCHEMBL4330549 0.83 NOTUM (0.65) NOTUMPOLBTRPV1ALDH1A1TSHR
SCHEMBL3098342 0.83 POLB (0.81) NOTUMPOLBTRPV1ALDH1A1TSHR
SCHEMBL5790870 0.82 NOTUM (0.67) NOTUMLMNASERPINE1
SCHEMBL25170450 0.82 NOTUM (1.00) NOTUMPOLBSERPINE1
SCHEMBL29957216 0.82 NOTUM (1.00) NOTUMPOLBSERPINE1

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 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 NOTUM 3548/4885POLB 4711/4885TRPV1 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.