SCHEMBL4546335

SCHEMBL4546335

O=C(NCc1ccccc1)C1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.63
RXFP1 Q9HBX9 4/20 0.56
HSD11B1 P28845 3/20 0.56
RBP4 P02753 2/20 0.54
MALT1 Q9UDY8 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.53
EPHX2 P34913 2/20 0.52
TP53 P04637 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL4546334 0.84 TRPV1 (0.84) TRPV1RXFP1HSD11B1RBP4MALT1
SCHEMBL1252470 0.81 TRPV1 (0.66) TRPV1HSD11B1RBP4MALT1KDM4E
SCHEMBL3216080 0.76 TRPV1 (0.69) TRPV1HSD11B1RBP4EPHX2
SCHEMBL3932323 0.75 TRPV1 (0.62) TRPV1HSD11B1RBP4MALT1EPHX2
SCHEMBL4035778 0.75 NPSR1 (0.70) NPSR1EPHX2
SCHEMBL24424315 0.75 EPHX2 (0.53) TRPV1EPHX2CYP2C9
SCHEMBL1253240 0.75 ALDH1A1 (0.59) TRPV1HSD11B1RBP4MALT1KDM4E
SCHEMBL12190505 0.74 GAA (0.64) TRPV1HSD11B1RBP4NPSR1
SCHEMBL1250860 0.74 TRPV1 (0.78) TRPV1HSD11B1RBP4MALT1
SCHEMBL12910238 0.73 TRPV1 (0.76) TRPV1RBP4MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 US disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 US disclosed
US-7572815-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2009-08-11 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-20090258900-A1 AMIDE DERIVATIVE NR0B1, NR0B2, NR1I3 TRPV1 804/4885RXFP1 507/4885HSD11B1 149/4885

“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.