SCHEMBL14166191

SCHEMBL14166191

O=C(OCC1CCNCC1)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
ALDH1A1 P00352 2/20 0.57
CHRM2 P08172 4/20 0.56
CHRM1 P11229 3/20 0.56
KCNH2 Q12809 3/20 0.56
SLC6A3 Q01959 2/20 0.56
HTT P42858 1/20 0.55
CYP3A4 P08684 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CHRM3 P20309 2/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
ABCB11 O95342 1/20 0.54
ESR1 P03372 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54

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 SCHEMBL14166400 0.99 POLB (0.60) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL14166369 0.87 POLB (0.48) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL14239683 0.83 HTT (0.58) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL14166433 0.83 CHRM2 (0.59) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL6398785 0.82 CHRM2 (0.68) CHRM2CHRM1CHRM3
SCHEMBL14166722 0.82 CHRM3 (0.63) POLBALDH1A1CHRM2CHRM1CYP2D6
SCHEMBL5247494 0.82 POLB (0.49) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL13266147 0.82 POLB (0.76) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL4146270 0.81 ALDH1A1 (0.57) POLBALDH1A1CHRM2CHRM1KCNH2
SCHEMBL6404721 0.80 CHRM3 (0.48) POLBALDH1A1CHRM2CHRM1KCNH2

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-2718281-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-09 EP disclosed
US-9012644-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-04-21 US disclosed
US-9012644-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-04-21 US disclosed
EP-2718281-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
CN-103547575-A Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity CHIESI FARMA SPA 2014-01-29 CN disclosed
US-20130034504-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-07 US disclosed
US-20130034504-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-07 US disclosed
WO-2012168349-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 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-20130034504-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B POLB 1500/4885ALDH1A1 1158/4885CHRM2 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.