SCHEMBL3583311

SCHEMBL3583311

O=[N+]([O-])c1ccc2c(c1)OCC(COCC1CC1)O2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SIGMAR1 Q99720 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
S1PR1 P21453 2/20 0.36
SGPL1 O95470 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL5937030 0.84 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2APRMT5
SCHEMBL28607236 0.84 CHRNB4 (0.48) CHRNB4CHRNA3MEN1KMT2APRMT5
SCHEMBL5937048 0.81 CHRNB4 (0.49) CHRNB4CHRNA3MEN1KMT2APRMT5
SCHEMBL6925938 0.79 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ANPC1
SCHEMBL1011265 0.79 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ANPC1
SCHEMBL1011267 0.79 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ANPC1
SCHEMBL16715355 0.79 CHRNB4 (0.54) CHRNB4CHRNA3MEN1KMT2ANPC1
SCHEMBL5846431 0.79 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2ANPC1
SCHEMBL5937089 0.79 CHRNB4 (0.51) CHRNB4CHRNA3MEN1KMT2APRMT5
SCHEMBL3589477 0.78 CHRNB4 (0.43) CHRNB4CHRNA3S1PR1SGPL1MAPT

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 13 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 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
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
EP-1863757-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-12-12 EP disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2006099410-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-21 WO disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
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 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 (5 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 CHRNB4 597/4885CHRNA3 322/4885MEN1 4500/4885
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 CHRNB4 588/4885CHRNA3 327/4885MEN1 4561/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 CHRNB4 588/4885CHRNA3 327/4885MEN1 4561/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 CHRNB4 588/4885CHRNA3 327/4885MEN1 4561/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 CHRNB4 588/4885CHRNA3 327/4885MEN1 4561/4885

“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.