Dioxane

Dioxane

SCHEMBL1741544

C1COCCO1.CC(=O)OC(C)C

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
SMN1; SMN2 Q16637 5/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
GALR3 O60755 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 2/20 0.33
PIK3CD O00329 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
OPRK1 P41145 1/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TRPV1 Q8NER1 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
Dioxane SCHEMBL4036904 0.91 TSHR (0.58) TSHRSMN1; SMN2CHRM2CHRM4CHRM1
Tetrahydrofuran SCHEMBL2502942 0.91 TSHR (0.64) TSHRSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL4977794 0.85 TSHR (0.56) TSHRSMN1; SMN2PKMMEN1KMT2A
Morpholine SCHEMBL3316539 0.85 TSHR (0.56) TSHRSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL21064874 0.84 TSHR (1.00) TSHRSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL19193 0.84
Cyclohexane SCHEMBL6963396 0.81 TSHR (0.82) TSHRSMN1; SMN2CHRM2CHRM4CHRM1
Cyclohexane SCHEMBL1659384 0.81 TSHR (0.82) TSHRSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL2354786 0.81 TSHR (0.64) TSHRSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL4431010 0.81 TSHR (0.93) TSHRSMN1; SMN2CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284153-A1 CRYSTAL OF DPP-IV LONG-ACTING INHIBITOR AND SALT CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-09-19 US claimed
EP-3498704-A1 CRYSTAL OF DPP-IV LONG-ACTING INHIBITOR AND SALT THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-06-19 EP claimed
CN-115385918-A Novel midazolam crystal form and preparation method thereof 成都硕德药业有限公司 2022-11-25 CN disclosed
US-10822319-B2 Crystal of DPP-IV long-acting inhibitor and salt CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-11-03 US disclosed
US-20190284153-A1 CRYSTAL OF DPP-IV LONG-ACTING INHIBITOR AND SALT CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-09-19 US disclosed
EP-3498704-A1 CRYSTAL OF DPP-IV LONG-ACTING INHIBITOR AND SALT THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-06-19 EP disclosed
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
EP-2387400-A1 NOVEL FORMS OF BENDAMUSTINE FREE BASE Cephalon, Inc. (US) 2011-11-23 EP disclosed
US-8037645-B2 Trellis and accent band DIVISION 8 PRODUCTS, INC. 2011-10-18 US 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
US-7563899-B2 (S)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-21 US disclosed
EP-1928882-A2 (S)-N-METHYLNALTREXONE, PROCESS FOR ITS SYNTHESIS AND ITS PHARMACEUTICAL USE PROGENICS PHARMACEUTICALS, INC. (US) 2008-06-11 EP 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 (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-20190284153-A1 CRYSTAL OF DPP-IV LONG-ACTING INHIBITOR AND SALT DPP4, DPP9, DPP7 TSHR 2570/4885SMN1; SMN2 3538/4885CHRM2 4637/4885
US-10822319-B2 Crystal of DPP-IV long-acting inhibitor and salt DPP4, DPP7, DPP9 TSHR 2537/4885SMN1; SMN2 3541/4885CHRM2 4614/4885
US-20100105911-A1 (S)-N-methylnal trexone TSNAX, MTX1, MTX2 TSHR 1371/4885SMN1; SMN2 13/4885CHRM2 1075/4885
US-20070265293-A1 Opioid antagonists; lyophilization OPRM1, OGFR, OPRL1 TSHR 1691/4885SMN1; SMN2 61/4885CHRM2 449/4885
US-20120136019-A1 (S)-N-METHYLNALTREXONE OPRM1, OPRL1, LPXN TSHR 1450/4885SMN1; SMN2 34/4885CHRM2 131/4885

“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.