SCHEMBL2685387

SCHEMBL2685387

NCc1cc(C(F)(F)F)nn1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
MPO P05164 1/20 0.32
HPGD P15428 1/20 0.31
LOX P28300 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31

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
SCHEMBL10093695 0.85 TGFBR1 (0.40) NR3C2TRPV1
SCHEMBL21024103 0.83 TRPV1 (0.42) NR3C2TRPV1KCNH2GAAMAPK13
SCHEMBL21023833 0.80 TRPV1 (0.40) NR3C2TRPV1KCNH2GAAMAPK13
SCHEMBL16794528 0.78 NR3C2 (0.45) NR3C2TRPV1KCNH2GAAMAPK13
SCHEMBL12912163 0.76 GAA (0.43) NR3C2TRPV1KCNH2GAAMAPK13
SCHEMBL21024096 0.74 GAA (0.44) NR3C2TRPV1KCNH2GAAMAPK13
SCHEMBL25647104 0.74 NR3C2 (0.40) NR3C2TRPV1MAPK13MAPK12MAPK11
SCHEMBL21024127 0.73 NR3C2 (0.40) NR3C2TRPV1KCNH2GAAMAPK13
SCHEMBL950587 0.72 NR3C2 (0.46) NR3C2TRPV1GAAMAPK13MAPK12
SCHEMBL21023794 0.72 NR3C2 (0.39) NR3C2TRPV1KCNH2GAAMAPK13

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-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 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 (2 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-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 NR3C2 838/4885TRPV1 1/4885KCNH2 750/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 NR3C2 1121/4885TRPV1 1/4885KCNH2 470/4885

“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.