SCHEMBL418663

SCHEMBL418663

O=C(O)[C@H](O)c1ccccc1C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.45
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
PTGDR Q13258 1/20 0.37
KMO O15229 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 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
SCHEMBL2062948 1.00 PTGDR2 (0.45) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL415803 1.00 PTGDR2 (0.45) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL198311 0.98 PTGDR2 (0.48) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL198081 0.98 PTGDR2 (0.48) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL1825802 0.98 PTGDR2 (0.48) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL30913266 0.98 PTGDR2 (0.48) PTGDR2LMNAMAPK1PTGDRKMO
Hydrochloric Acid SCHEMBL8869405 0.97 PTGDR2 (0.47) PTGDR2LMNAMAPK1PTGDRKMO
SCHEMBL2062720 0.86 PTGDR2 (0.42) PTGDR2USP2CYP1A2HTR1AADRA2A
SCHEMBL28336946 0.83 PTGDR2 (0.43) PTGDR2LMNAPTGDRKMOUSP2
SCHEMBL7919662 0.83 PTGDR2 (0.43) PTGDR2KMOKDM4EPTGS2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008023-B Crystal form of Sofos-piramide and preparation method thereof 科研制药株式会社 2024-02-09 CN disclosed
US-11584715-B2 Crystalline form of sofpironium bromide and preparation method thereof BOTANIX SB, INC. (US) 2023-02-21 US disclosed
US-11566000-B2 Crystalline form of sofpironium bromide and preparation method thereof BOTANIX SB, INC. (US) 2023-01-31 US disclosed
US-20220298108-A1 CRYSTALLINE FORM OF SOFPIRONIUM BROMIDE AND PREPARATION METHOD THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2022-09-22 US disclosed
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
EP-3494106-B1 PROCESSES FOR MAKING, AND METHODS OF USING, GLYCOPYRRONIUM COMPOUNDS JOURNEY MEDICAL CORP (US) 2022-07-20 EP disclosed
US-11352323-B2 Processes for making, and methods of using, glycopyrronium compounds JOURNEY MEDICAL CORPORATION (US) 2022-06-07 US disclosed
US-11352323-B2 Processes for making, and methods of using, glycopyrronium compounds JOURNEY MEDICAL CORPORATION (US) 2022-06-07 US disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
EP-3972955-A1 CRYSTALLINE FORM OF SOFPIRONIUM BROMIDE AND PREPARATION METHOD THEREOF Kaken Pharmaceutical Co., Ltd. (JP) 2022-03-30 EP disclosed
US-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2009-10-22 US disclosed
US-7576210-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate BODOR LABORATORIES, INC. 2009-08-18 US disclosed
US-20090075954-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate BODOR LABORATORIES, INC. 2009-03-19 US disclosed
EP-2032118-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM Beiersdorf AG (DE) 2009-03-11 EP disclosed
EP-1948596-A2 SOFT ANTICHOLINERGIC ESTERS Bodor, Nicholas S. (US) 2008-07-30 EP disclosed
US-7399861-B2 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2008-07-15 US disclosed
US-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them BEIERSDORF AG (DE) 2007-12-20 US disclosed
WO-2007141289-A1 PIPERIDINIUM COMPOUNDS AND COSMETIC COMPOSITIONS CONTAINING THEM BEIERSDORF AG (DE) 2007-12-13 WO disclosed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US disclosed
WO-2007058971-A2 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2007-05-24 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 (9 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-20070292375-A1 Piperidinium compounds and cosmetic compositions containing them CUTA, DPM1, TRPA1 PTGDR2 2610/4885LMNA 4213/4885MAPK1 2528/4885
US-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 PTGDR2 553/4885LMNA 1719/4885MAPK1 3903/4885
US-11584715-B2 Crystalline form of sofpironium bromide and preparation method thereof POLR2B, COPB2, FXR1 PTGDR2 4330/4885LMNA 3629/4885MAPK1 3342/4885
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 PTGDR2 603/4885LMNA 2541/4885MAPK1 1617/4885
US-11566000-B2 Crystalline form of sofpironium bromide and preparation method thereof POLR2B, COPB2, FXR1 PTGDR2 4338/4885LMNA 3660/4885MAPK1 3267/4885
US-11352323-B2 Processes for making, and methods of using, glycopyrronium compounds GYPA, TPO, CYP21A2 PTGDR2 1038/4885LMNA 4304/4885MAPK1 4233/4885
US-20090075954-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate CHRNE, CHRM1, ADRB1 PTGDR2 294/4885LMNA 3526/4885MAPK1 2380/4885
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives CHRM2, ADRB1, ADRB2 PTGDR2 256/4885LMNA 3178/4885MAPK1 3385/4885
US-20220298108-A1 CRYSTALLINE FORM OF SOFPIRONIUM BROMIDE AND PREPARATION METHOD THEREOF POLR2B, COPB2, FXR1 PTGDR2 4330/4885LMNA 3629/4885MAPK1 3342/4885

“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.