SCHEMBL3589685

SCHEMBL3589685

O=C(Nc1ccc2c(c1)OCCN2)c1ccc(/C=C/C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.50
NPC1 O15118 9/20 0.48
RAB9A P51151 9/20 0.48
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
PYGL P06737 1/20 0.39
TP53 P04637 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3589689 1.00 TRPV1 (0.50) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3589988 0.89 TRPV1 (0.51) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3589982 0.89 TRPV1 (0.51) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3591756 0.89 TRPV1 (0.51) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3587856 0.89 TRPV1 (0.52) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3587851 0.89 TRPV1 (0.52) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3595361 0.88 TRPV1 (0.50) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3591672 0.88 TRPV1 (0.50) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3591670 0.88 TRPV1 (0.50) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13757210 0.85 TRPV1 (0.59) TRPV1NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885NPC1 879/4885RAB9A 2452/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885NPC1 959/4885RAB9A 2274/4885

“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.