SCHEMBL4636347

SCHEMBL4636347

[O]C(=O)[C@@](O)(c1cccs1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.55
CHRM2 P08172 10/20 0.55
CHRM1 P11229 10/20 0.55
CHRM4 P08173 1/20 0.54
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.39

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
SCHEMBL156566 1.00 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRM4KEAP1
SCHEMBL1234816 1.00 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRM4KEAP1
SCHEMBL1234072 0.98 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM4KEAP1
SCHEMBL156567 0.87 KEAP1 (0.58) CHRM3CHRM2CHRM1CHRM4KEAP1
SCHEMBL1234819 0.87 KEAP1 (0.58) CHRM3CHRM2CHRM1CHRM4KEAP1
SCHEMBL3099952 0.87 KEAP1 (0.58) CHRM3CHRM2CHRM1CHRM4KEAP1
SCHEMBL1086681 0.86 KEAP1 (0.57) CHRM3CHRM2CHRM1CHRM4KEAP1
SCHEMBL4968719 0.86 KEAP1 (0.57) CHRM3CHRM2CHRM1CHRM4KEAP1
SCHEMBL2795334 0.86 KEAP1 (0.57) CHRM3CHRM2CHRM1CHRM4KEAP1
Fluoride SCHEMBL16146044 0.86 KEAP1 (0.57) CHRM3CHRM2CHRM1CHRM4KEAP1

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
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP claimed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO claimed
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US disclosed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP disclosed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO 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 (1 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 CHRM3 222/4885CHRM2 344/4885CHRM1 327/4885

“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.