SCHEMBL4663933

SCHEMBL4663933

CC(C)N(CC[C@H](c1ccccc1)c1cc(Br)ccc1O)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.74
CHRM2 P08172 3/20 0.74
CHRM1 P11229 3/20 0.74
LMNA P02545 3/20 0.74
MAPT P10636 3/20 0.74
CHRM5 P08912 2/20 0.74
HRH1 P35367 2/20 0.74
ESR1 P03372 1/20 0.74
CHRM4 P08173 1/20 0.74
KCNE1 P15382 1/20 0.74
PTGS1 P23219 1/20 0.74
HRH2 P25021 1/20 0.74
HTR2A P28223 1/20 0.74
SLC6A4 P31645 1/20 0.74
ADRA1A P35348 1/20 0.74
OPRK1 P41145 1/20 0.74
KCNQ1 P51787 1/20 0.74
KCNH2 Q12809 1/20 0.74
CACNA1C Q13936 1/20 0.74
SCN5A Q14524 1/20 0.74

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
SCHEMBL820438 1.00 CHRM3 (0.74) CHRM3CHRM2CHRM1LMNAMAPT
Hydrochloric Acid SCHEMBL815785 0.99 CHRM3 (0.72) CHRM3CHRM2CHRM1LMNAMAPT
Cadaverine Tartrate SCHEMBL9107413 0.92 CHRM3 (0.78) CHRM3CHRM2CHRM1LMNAMAPT
Cadaverine Tartrate SCHEMBL9107432 0.92 CHRM3 (0.78) CHRM3CHRM2CHRM1LMNAMAPT
Hydrochloric Acid SCHEMBL27872377 0.90 CHRM3 (0.60) CHRM3CHRM2CHRM1LMNAMAPT
SCHEMBL2473562 0.86 CHRM3 (0.78) CHRM3CHRM2CHRM1LMNAMAPT
SCHEMBL2473559 0.86 CHRM3 (0.78) CHRM3CHRM2CHRM1LMNAMAPT
Tolterodine SCHEMBL29379290 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1LMNAMAPT
Tolterodine SCHEMBL36882 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1LMNAMAPT
Tolterodine SCHEMBL29635996 0.85 CHRM3 (1.00) CHRM3CHRM2CHRM1LMNAMAPT

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 8 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-20040220224-A1 Method of treating irritable bowel syndrome PFIZER INC 2004-11-04 US disclosed
US-20040209916-A1 Combination therapies PFIZER INC 2004-10-21 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 (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-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A CHRM3 32/4885CHRM2 30/4885CHRM1 33/4885
US-20030158176-A1 Quaternary ammonium compounds CLIC1, CLIC4, CORO1C CHRM3 129/4885CHRM2 157/4885CHRM1 27/4885
US-20050148672-A1 Quaternary ammonium compounds BET1, EP300, BRD4 CHRM3 2026/4885CHRM2 2552/4885CHRM1 985/4885
US-20040220224-A1 Method of treating irritable bowel syndrome SI, VIP, SLC10A2 CHRM3 897/4885CHRM2 950/4885CHRM1 1033/4885

“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.