SCHEMBL14166122

SCHEMBL14166122

[N-]=[N+]=NC(c1ccccc1)c1cccc(OCCCCCCCCC2OCCO2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.34
FFAR1 O14842 3/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL14166623 0.88
SCHEMBL14706758 0.85 FFAR1 (0.39) ALDH1A1SMN1; SMN2TSHRFFAR1
SCHEMBL14166117 0.83 TDP1 (0.40) LMNATSHR
SCHEMBL14694685 0.82 RXRA (0.40) SMN1; SMN2KMT2ATSHRFFAR1
SCHEMBL14166312 0.81 CHRM3 (0.37) SMN1; SMN2ACACBKMT2A
SCHEMBL14694668 0.81 CHRM3 (0.39) ALDH1A1LMNASMN1; SMN2KMT2AALOX5
SCHEMBL14166389 0.81 ALOX5 (0.43) CYSLTR2CYSLTR1KDM4EALDH1A1LMNA
SCHEMBL14706780 0.80 SMN1; SMN2 (0.40) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14166097 0.80 SMN1; SMN2 (0.39) CYSLTR2CYSLTR1KDM4EALDH1A1LMNA
SCHEMBL14241392 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
WO-2012168359-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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CYSLTR2 41/4885CYSLTR1 67/4885KDM4E 4751/4885

“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.