SCHEMBL13988751

SCHEMBL13988751

C/C(=C\C(C)(C)C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.68
PTGS1 P23219 3/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
RORC P51449 1/20 0.58
TRPV4 Q9HBA0 1/20 0.54
HDAC3 O15379 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
MAPT P10636 1/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EPHX2 P34913 1/20 0.50
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50

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
SCHEMBL13988754 0.88 HDAC3 (0.65) TRPV1NPC1RAB9AHDAC3HDAC8
SCHEMBL13988685 0.87 PTPN1 (0.59) NPC1RAB9AALDH1A1MAPT
SCHEMBL13988679 0.84 KDM4E (0.65) NPC1RAB9AALDH1A1MAPT
SCHEMBL13988775 0.84 NPC1 (0.66) NPC1RAB9AMAPTKCNQ3KCNQ2
SCHEMBL13988681 0.84 PTPN1 (0.57) TRPV1NPC1RAB9AHDAC3HDAC8
SCHEMBL7513604 0.83 TRPV1 (0.83) TRPV1PTGS1NPC1RAB9ARORC
SCHEMBL13988683 0.82 RAB9A (0.69) NPC1RAB9ANR4A1ALDH1A1MAPT
SCHEMBL13988755 0.82 LMNA (0.57) TRPV1NPC1RAB9AHDAC3HDAC8
SCHEMBL13988758 0.81 NPC1 (0.53) TRPV1PTGS1NPC1RAB9AHDAC3
SCHEMBL13988771 0.80 PTGS1 (0.64) TRPV1PTGS1NPC1RAB9AALDH1A1

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-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-12-18 US disclosed
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-12-18 US disclosed
US-7432281-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2008-10-07 US disclosed
US-7432281-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2008-10-07 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-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885PTGS1 186/4885NPC1 959/4885

“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.