SCHEMBL2295829

SCHEMBL2295829

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nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL818454 0.83 HMGCR (0.40) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL13623133 0.77 TRPA1 (0.41) GAA
SCHEMBL27986214 0.75 CES1 (0.38)
SCHEMBL9015652 0.75 ALDH1A1 (0.37) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL2178900 0.72 HMGCR (0.52) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL13623137 0.72
SCHEMBL14282026 0.71 HMGCR (0.36) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL13544793 0.70 LMNA (0.38) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL9579482 0.70 TET2 (0.34) GAAHMGCRCHRM1TBXA2RADRA1A
SCHEMBL12595360 0.70 KMT2A (0.32) GAAHMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916581-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2014-12-23 US disclosed
EP-1928882-B1 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARM INC (US) 2013-09-04 EP disclosed
US-20120136019-A1 (S)-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. (US) 2012-05-31 US disclosed
EP-2450360-A2 (S)-N-Methylnaltrexone Progenics Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
US-8003794-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20100105911-A1 (S)-N-methylnal trexone ALBANY MOLECULAR RESEARCH, INC. 2010-04-29 US disclosed
EP-2111108-A2 (S)-N-STEREOISOMERS OF 7,8-SATURATED-4,5-EPOXY-MORPHINANIUM ANALOGS Progenics Pharmaceuticals, Inc. (US) 2009-10-28 EP disclosed
EP-2101773-A2 (R)-N-STEREOISOMERS OF 7,8-SATURATED-4,5-EPOXY-MORPHINANIUM ANALOGS Progenics Pharmaceuticals, Inc. (US) 2009-09-23 EP disclosed
US-7563899-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-21 US disclosed
US-20090047279-A1 (R)-N-Stereoisomers of 7,8-Saturated-4,5-Epoxy-Morphinanium Analogs PROGENICS PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2008136865-A9 (S)-N-STEREOISOMERS OF 7,8-SATURATED-4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARM INC (US) 2009-01-15 WO disclosed
WO-2008136865-A2 (S)-N-STEREOISOMERS OF 7,8-SATURATED-4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
EP-1928882-A2 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-11 EP disclosed
WO-2008064351-A2 (R)-N-STEREOISOMERS OF 7,8-SATURATED-4,5-EPOXY-MORPHINANIUM ANALOGS PROGENICS PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
US-20070265293-A1 Opioid antagonists; lyophilization PROGENICS PHARMACEUTICAIS, INC. 2007-11-15 US disclosed
WO-2006127898-A2 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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 (4 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-20090047279-A1 (R)-N-Stereoisomers of 7,8-Saturated-4,5-Epoxy-Morphinanium Analogs OPRM1, OPRK1, OPRD1 GAA 3221/4885HMGCR 2688/4885CHRM1 79/4885
US-20100105911-A1 (S)-N-methylnal trexone TSNAX, MTX1, MTX2 GAA 3688/4885HMGCR 1229/4885CHRM1 1175/4885
US-20070265293-A1 Opioid antagonists; lyophilization OPRM1, OGFR, OPRL1 GAA 3064/4885HMGCR 4018/4885CHRM1 615/4885
US-20120136019-A1 (S)-N-METHYLNALTREXONE OPRM1, OPRL1, LPXN GAA 4086/4885HMGCR 2895/4885CHRM1 219/4885

“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.