SCHEMBL658499

SCHEMBL658499

CC(C)(C)c1cc(CN2CCN(Cc3ccccc3)CC2)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.53
SIGMAR1 Q99720 1/20 0.52
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45

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
SCHEMBL658734 0.85 TRPV1 (0.60) TRPV1KDM4EMAPT
SCHEMBL287455 0.78 TRPV1 (0.57) TRPV1MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL12982494 0.77 TRPV1 (0.56) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22385170 0.76 TRPV1 (0.64) TRPV1
SCHEMBL13194016 0.76 TRPV1 (0.64) TRPV1
SCHEMBL6266715 0.74 ALDH1A1 (0.60) SIGMAR1LMNAALDH1A1KDM4EMAPT
SCHEMBL2688130 0.74 TRPV1 (0.72) TRPV1
SCHEMBL287373 0.73 TRPV1 (0.56) TRPV1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9374413 0.73 SIGMAR1 (0.76) SIGMAR1LMNAMAPTHTR1AHTR7
SCHEMBL25510561 0.71 TRPV1 (0.47) TRPV1MAPK13MAPK12MAPK11MAPK14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 TRPV1 1/4885SIGMAR1 24/4885MAPK13 1876/4885

“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.