SCHEMBL11992529

SCHEMBL11992529

CCC(=O)N1C[C@@H](CO)[C@@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.48
CHRNA3 P32297 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNB3 Q05901 2/20 0.48
CHRNA6 Q15825 2/20 0.48
CHRNB4 P30926 2/20 0.47
CHRNA7 P36544 2/20 0.47
ALDH1A1 P00352 1/20 0.37
GBA1 P04062 4/20 0.37
GAA P10253 4/20 0.35
EPHX2 P34913 2/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL13610593 1.00 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13032039 0.88 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13032079 0.88 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15372377 0.85 CHRNB2 (0.51) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10272739 0.83 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22791095 0.83 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10288962 0.83 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10272438 0.83 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16281802 0.81 L3MBTL1 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL11992495 0.81 CPN1 (0.33) GBA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 US disclosed
US-9453222-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS 2015-08-20 US disclosed
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS BANK OF AMERICA, N.A. 2015-07-09 US disclosed
US-8957223-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20140316124-A1 MODIDIFED iRNA AGENTS BANK OF AMERICA, N.A. 2014-10-23 US disclosed
US-8796436-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130261166-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE ALNYLAM PHARMACEUTICALS, INC. 2013-10-03 US disclosed
US-20110251257-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE ALNYLAM PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-8017763-B2 Chemically modified oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2010-10-21 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 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 (10 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-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B CHRNB2 3236/4885CHRNA3 3601/4885CHRNA4 4135/4885
US-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA CHRNB2 127/4885CHRNA3 135/4885CHRNA4 233/4885
US-20110251257-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA CHRNB2 127/4885CHRNA3 135/4885CHRNA4 233/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 CHRNB2 3086/4885CHRNA3 2302/4885CHRNA4 2736/4885
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA CHRNB2 127/4885CHRNA3 135/4885CHRNA4 233/4885
US-20150191726-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG CHRNB2 3193/4885CHRNA3 2987/4885CHRNA4 3555/4885
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA CHRNB2 127/4885CHRNA3 135/4885CHRNA4 233/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA CHRNB2 127/4885CHRNA3 135/4885CHRNA4 233/4885
US-20130261166-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA CHRNB2 127/4885CHRNA3 135/4885CHRNA4 233/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG CHRNB2 3193/4885CHRNA3 2987/4885CHRNA4 3555/4885

“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.