SCHEMBL5909445

SCHEMBL5909445

O=C(Nc1ccc2c(c1)OCCO2)c1ccc(/C=C/C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.62
NPC1 O15118 12/20 0.62
TRPV1 Q8NER1 3/20 0.61
SMN1; SMN2 Q16637 6/20 0.58
MAOB P27338 2/20 0.58
HSD17B10 Q99714 1/20 0.58
PKM P14618 3/20 0.58
TP53 P04637 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 1/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL5909453 1.00 RAB9A (0.62) RAB9ANPC1TRPV1SMN1; SMN2MAOB
SCHEMBL5909169 0.93 RAB9A (0.64) RAB9ANPC1TRPV1SMN1; SMN2MAOB
SCHEMBL5909173 0.93 RAB9A (0.64) RAB9ANPC1TRPV1SMN1; SMN2MAOB
SCHEMBL14032734 0.91 RAB9A (0.62) RAB9ANPC1TRPV1SMN1; SMN2MAOB
SCHEMBL5909439 0.88 RAB9A (0.65) RAB9ANPC1TRPV1SMN1; SMN2HSD17B10
SCHEMBL5909444 0.88 RAB9A (0.65) RAB9ANPC1TRPV1SMN1; SMN2HSD17B10
SCHEMBL3587414 0.86 RAB9A (0.66) RAB9ANPC1TRPV1SMN1; SMN2PKM
SCHEMBL3587418 0.86 RAB9A (0.66) RAB9ANPC1TRPV1SMN1; SMN2PKM
SCHEMBL13757210 0.85 TRPV1 (0.59) RAB9ANPC1TRPV1SMN1; SMN2MAOB
SCHEMBL13757208 0.85 TRPV1 (0.60) RAB9ANPC1TRPV1SMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US claimed
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-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-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
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 (3 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885TRPV1 1/4885
US-20080312237-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885TRPV1 1/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885TRPV1 1/4885

“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.