Sugi Predict

Sugi Predict / Compounds / SCHEMBL4661197

SCHEMBL4661197

SCHEMBL4661197

CCCC(=O)Oc1ccc(C)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 3/20 0.61
▸ CHRM1 P11229 3/20 0.61
▸ CHRM3 P20309 3/20 0.61
▸ CHRM5 P08912 2/20 0.61
▸ HRH1 P35367 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ CHRM4 P08173 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ KCNE1 P15382 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ HRH2 P25021 1/20 0.61
▸ HTR2A P28223 1/20 0.61
▸ SLC6A4 P31645 1/20 0.61
▸ ADRA1A P35348 1/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ KCNQ1 P51787 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ CACNA1C Q13936 1/20 0.61
▸ SCN5A Q14524 1/20 0.61

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 SCHEMBL4661423 0.99 CHRM2 (0.60) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL5701956 0.92 CHRM2 (0.56) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL4879639 0.90 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL574530 0.90 CHRM2 (0.67) CHRM2CHRM1CHRM3CHRM5HRH1
Hydrochloric Acid SCHEMBL4771342 0.89 CHRM2 (0.66) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL222314 0.88 CHRM2 (0.62) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL29351489 0.88 CHRM2 (0.62) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL222588 0.88 CHRM2 (0.62) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL2168704 0.87 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1
SCHEMBL5090344 0.87 CHRM2 (0.77) CHRM2CHRM1CHRM3CHRM5HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461306-B1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS PHARMACIA & UPJOHN CO LLC (US) 2008-12-24 — — EP disclosed
EP-1461306-B1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS PHARMACIA & UPJOHN CO LLC (US) 2008-12-24 — — EP disclosed
US-7439397-B2 reacting methyl bromide and 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(trifluoromethyl) phenol; formation of (3R)-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-N,N-diisopropyl-N-methyl-3-phenylpropan-1-aminium bromide; asthma, chronic obstructive pulmonary disorder, allergic and infectious rhinitis PFIZER INC (US) 2008-10-21 — — US disclosed
US-20050148672-A1 Quaternary ammonium compounds RICHARDS IVAN (US) 2005-07-07 — — US disclosed
US-6890920-B2 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY (US) 2005-05-10 — — US disclosed
US-20030158176-A1 Quaternary ammonium compounds PHARMACIA & UPJOHN COMPANY 2003-08-21 — — 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 (2 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-20030158176-A1 Quaternary ammonium compounds CLIC1, CLIC4, CORO1C CHRM2 157/4885CHRM1 27/4885CHRM3 129/4885
US-20050148672-A1 Quaternary ammonium compounds BET1, EP300, BRD4 CHRM2 2552/4885CHRM1 985/4885CHRM3 2026/4885

“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.