SCHEMBL5538287

SCHEMBL5538287

C[N+]1(CCCOc2ccc(COC(=O)C(F)(F)F)cc2)CCC(OC(=O)C2c3ccccc3Oc3ccccc32)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.50
CHRM2 P08172 10/20 0.42
CHRM1 P11229 10/20 0.42
CCR1 P32246 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 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
Trifluoroacetic Acid SCHEMBL5538285 0.88 CHRM3 (0.50) CHRM3CHRM2CHRM1CCR1PPARG
Bromide SCHEMBL5546045 0.85 CHRM3 (0.65) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL5546014 0.83 CHRM3 (0.49) CHRM3CHRM2CHRM1CCR1CYP1A2
Trifluoroacetic Acid SCHEMBL5533187 0.83 CHRM3 (0.49) CHRM3CHRM2CHRM1CCR1
Trifluoroacetic Acid SCHEMBL5534438 0.82 CHRM3 (0.48) CHRM3CHRM2CHRM1CCR1
SCHEMBL6417797 0.81 CHRM3 (0.54) CHRM3CHRM2CHRM1CCR1
SCHEMBL6423109 0.81 CHRM3 (0.54) CHRM3CHRM2CHRM1CCR1CYP1A2
Trifluoroacetic Acid SCHEMBL5535488 0.81 CHRM3 (0.46) CHRM3CHRM2CHRM1CCR1CYP1A2
Bromide SCHEMBL5534658 0.79 CHRM3 (0.51) CHRM3CHRM2CHRM1CCR1CYP1A2
Trifluoroacetic Acid SCHEMBL5538291 0.79 CHRM3 (0.44) CHRM3CHRM2CHRM1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US claimed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 US claimed
EP-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 EP claimed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 WO claimed
US-20070129420-A1 New pyrrolidinium derivatives ALMIRALL PRODESFARMA SA 2007-06-07 US disclosed
US-7192978-B2 Pyrrolidinium derivatives ALMIRALL PRODESFARMA AG (CH) 2007-03-20 US disclosed
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 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-20050282875-A1 Pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885
US-20070129420-A1 New pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 CHRM3 1/4885CHRM2 2/4885CHRM1 3/4885

“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.