Sugi Predict

Sugi Predict / Compounds / SCHEMBL2289504

SCHEMBL2289504

SCHEMBL2289504

CCOC(=O)C(O)(c1cccs1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 13/20 0.46
▸ CHRM2 P08172 11/20 0.46
▸ CHRM1 P11229 9/20 0.46
▸ CHRM4 P08173 2/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ TSPO P30536 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL26529315 0.90 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL5399482 0.90 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16053656 0.87 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908477 0.87 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2130216 0.85 PIN1 (0.44) CHRM3CHRM2CHRM1CHRM4TSHR
SCHEMBL1456077 0.83 ALDH1A1 (0.43) CHRM3CHRM2CHRM1CHRM4TSHR
SCHEMBL7450936 0.83 TSHR (0.42) CHRM3CHRM2CHRM1CHRM4TSHR
SCHEMBL2989486 0.83 TSHR (0.42) CHRM3CHRM2CHRM1CHRM4TSHR
SCHEMBL11024141 0.82 TSHR (0.41) CHRM3CHRM2CHRM1CHRM4TSHR
SCHEMBL6136786 0.82 ALDH1A1 (0.42) CHRM3CHRM2CHRM1CHRM4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014140318-A1 IMPROVED PROCESS FOR ACYL TRANSFER REACTIONS K.H.S. PHARMA HOLDING GMBH (DE) 2014-09-18 — — WO claimed
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 — — US disclosed
CN-105683186-A An industrially applicable process for preparing high purity aclidinium bromide 赞蒂瓦有限合伙公司 2016-06-15 — — CN disclosed
WO-2015062560-A1 AN INDUSTRIALLY APPLICABLE PROCESS FOR PREPARING HIGH PURITY ACLIDINIUM BROMIDE ZENTIVA, K.S. (CZ) 2015-05-07 — — WO disclosed
WO-2014140318-A1 IMPROVED PROCESS FOR ACYL TRANSFER REACTIONS K.H.S. PHARMA HOLDING GMBH (DE) 2014-09-18 — — WO disclosed
US-20110319446-A1 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2011-12-29 — — US disclosed
US-7994211-B2 Bicyclo[2.2.1]hept-7-ylamine derivatives and their uses ARGENTA DISCOVERY LIMITED (GB) 2011-08-09 — — US disclosed
US-20100144852-A1 Bicyclo[2.2.1]hept-7-ylamine Derivatives and Their Uses ARGENTA DISCOVERY LIMITED (GB) 2010-06-10 — — US disclosed
US-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-31 — — US disclosed
WO-2009139710-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 — — WO disclosed
WO-2008096094-A1 BICYCLOR[2.2.1]HEPT-7-YLAMINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR MODULATORS ARGENTA DISCOVERY LTD. (GB) 2008-08-14 — — WO disclosed
WO-2008096127-A2 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USE AS M3 MUSCARINIC RECEPTOR MODULATORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 — — WO disclosed
EP-1924553-A1 BICYCLO[2.2.]HEPT-7-YLAMINE DERIVATIVES AND THEIR USES Argenta Discovery Limited (GB) 2008-05-28 — — EP disclosed
WO-2008017824-A1 BICYCLO [2. 2. 1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 — — WO disclosed
US-RE39820-E1 As anticholinergics, administered by inhalation, they are useful for the treatment of chronic obstructive bronchitis or slight to moderately severe asthma; administered by the intravenous or oral routes, they are useful for the treatment of vagally induced sinus bradycardia BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-04 — — US disclosed
WO-2007068929-A1 CYCLIC AMINE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2007-06-21 — — WO disclosed
WO-2007017670-A1 BICYCLO[2.2.]HEPT-7-YLAMINE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2007-02-15 — — WO disclosed
US-5770738-A ANTICHOLINERGIC AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-06-23 — — US disclosed
US-5654314-A RESPIRATORY SYSTEM DISORDERS BOEHRINGER INGELHEIM KG (DE) 1997-08-05 — — US disclosed
US-5610163-A ANTICHOLINERGIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1997-03-11 — — 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 (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-20100144852-A1 Bicyclo[2.2.1]hept-7-ylamine Derivatives and Their Uses CHRM2, CHRM3, CHRM1 CHRM3 2/4885CHRM2 1/4885CHRM1 3/4885
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CYP3A43, ABCB1, ABCB11 CHRM3 354/4885CHRM2 1451/4885CHRM1 2980/4885
US-20110319446-A1 BICYCLO[2.2.1]HEPT-7-YLAMINE DERIVATIVES AND THEIR USES CHRM2, CHRM3, CHRM1 CHRM3 2/4885CHRM2 1/4885CHRM1 3/4885
US-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS LTB4R2, LTB4R, LTC4S CHRM3 7/4885CHRM2 11/4885CHRM1 19/4885

“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.