Sugi Predict

Sugi Predict / Compounds / SCHEMBL2443032

SCHEMBL2443032

SCHEMBL2443032

CCCOC(C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.54
▸ CHRM1 P11229 3/20 0.54
▸ CHRM3 P20309 3/20 0.54
▸ MLNR O43193 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ CACNA1C Q13936 1/20 0.54
▸ LMNA P02545 5/20 0.47
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2C19 P33261 3/20 0.41
▸ KCNN4 O15554 1/20 0.41

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
Hydrochloric Acid SCHEMBL4541197 0.98 CHRM2 (0.52) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL9623042 0.90 TSHR (0.47) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL28598274 0.88 TSHR (0.49) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL2762964 0.86 MLNR (0.46) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL4561863 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL15310068 0.84 CYP3A4 (0.58) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL4298978 0.83 LMNA (0.46) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL8134337 0.82 KDM4E (0.51) CHRM2CHRM1OPRM1DRD3CYP3A4
SCHEMBL30670482 0.79 LMNA (0.46) CHRM2CHRM1CHRM3MLNRHTR2A
SCHEMBL9047924 0.79 LMNA (0.42) CHRM2CHRM1CHRM3MLNRHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4088717-A1 USE AND COMPOSITION FOR TREATING DEMENTIA Chase Pharmaceuticals Corporation (US) 2022-11-16 — — EP claimed
EP-2851073-B1 PROPHYLACTIC AGENT AND/OR THERAPEUTIC AGENT FOR STRESS URINARY INCONTINENCE TAIHO PHARMACEUTICAL CO LTD (JP) 2016-11-09 — — EP claimed
EP-1880718-B1 Pharmaceutical preparation for oral administration with controlled drug release in the small intestine colon and process of prepartion thereof PFLEGER R CHEM FAB (DE) 2011-09-21 — — EP claimed
EP-4088717-A1 USE AND COMPOSITION FOR TREATING DEMENTIA Chase Pharmaceuticals Corporation (US) 2022-11-16 — — EP disclosed
US-9896416-B2 Piperidinium quaternary salts Chase Parmaceuticals Corporation (US) 2018-02-20 — — US disclosed
EP-2882711-B1 PIPERIDINIUM QUATERNARY SALTS CHASE PHARMACEUTICALS CORP (US) 2017-10-25 — — EP disclosed
US-20150203452-A1 PIPERIDINIUM QUATERNARY SALTS CHASE PHARMACEUTICALS CORPORATION (US) 2015-07-23 — — US disclosed
EP-2882711-A1 PIPERIDINIUM QUATERNARY SALTS Chase Pharmaceuticals Corporation (US) 2015-06-17 — — EP disclosed
WO-2014025569-A1 PIPERIDINIUM QUATERNARY SALTS CHASE PHARMACEUTICALS CORPORATION (US) 2014-02-13 — — WO disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
EP-2177511-A2 Process for preparing 3,6-disubstituted azabicyclo derivatives Ranbaxy Laboratories Limited (IN) 2010-04-21 — — EP disclosed
WO-2004091607-A1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-28 — — WO disclosed
US-20040138253-A1 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY 2004-07-15 — — US disclosed
US-20040138289-A1 Quaternary ammonium compounds RICHARDS IVAN MICHAEL 2004-07-15 — — US disclosed
US-20040132774-A1 Quaternary ammonium compounds HEATH TIMOTHY GORDON (US) 2004-07-08 — — US disclosed
WO-2004052857-A1 3,6-DISUBSTITUTED AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-06-24 — — WO disclosed
US-20040116519-A1 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY 2004-06-17 — — US disclosed
WO-2004039798-A1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 — — WO disclosed
US-20030158176-A1 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY 2003-08-21 — — US disclosed
US-20030144352-A1 Antimuscarinic aerosol PHARMACIA & UPJOHN COMPANY 2003-07-31 — — 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 (6 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-20040138289-A1 Quaternary ammonium compounds ARG1, HRH4, HRH1 CHRM2 676/4885CHRM1 378/4885CHRM3 484/4885
US-20030144352-A1 Antimuscarinic aerosol CHRM3, CHRM1, CHRM5 CHRM2 4/4885CHRM1 2/4885CHRM3 1/4885
US-20040132774-A1 Quaternary ammonium compounds ARG1, HRH4, HRH1 CHRM2 676/4885CHRM1 378/4885CHRM3 484/4885
US-20040138253-A1 Quaternary ammonium compounds ARG1, HRH4, HRH1 CHRM2 676/4885CHRM1 378/4885CHRM3 484/4885
US-20030158176-A1 Quaternary ammonium compounds CLIC1, CLIC4, CORO1C CHRM2 157/4885CHRM1 27/4885CHRM3 129/4885
US-20150203452-A1 PIPERIDINIUM QUATERNARY SALTS CHRNA4, CHRNA2, CHRNA10 CHRM2 7/4885CHRM1 4/4885CHRM3 8/4885

“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.