SCHEMBL18918544

SCHEMBL18918544

CCOC(CCCNC(=O)c1cccc(C=O)c1)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ ATM Q13315 1/20 0.46
▸ PAX8 Q06710 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TP53BP1 Q12888 3/20 0.42
▸ ERN1 O75460 1/20 0.41
▸ UNG P13051 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NAAA Q02083 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 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
SCHEMBL23223763 0.94 SMN1; SMN2 (0.47) SMN1; SMN2EPHX1ATMPAX8GAA
SCHEMBL23223762 0.89 SMN1; SMN2 (0.49) SMN1; SMN2EPHX1ATMPAX8GAA
SCHEMBL18918566 0.84 SMN1; SMN2 (0.57) SMN1; SMN2EPHX1ATMPAX8GAA
SCHEMBL18918531 0.83 SMN1; SMN2 (0.56) SMN1; SMN2EPHX1ATMPAX8GAA
SCHEMBL6313513 0.81 CYP3A4 (0.55) SMN1; SMN2MAPTLMNANPC1ALDH1A1
SCHEMBL29798859 0.80 NPC1 (0.58) SMN1; SMN2EPHX1L3MBTL1NAAANPC1
SCHEMBL23223972 0.77 SMN1; SMN2 (0.51) SMN1; SMN2EPHX1ATMPAX8GAA
SCHEMBL2276760 0.77 HPGD (0.56) SMN1; SMN2MAPTL3MBTL1UNGLMNA
SCHEMBL6184692 0.76 UNG (0.56) SMN1; SMN2GAAL3MBTL1ERN1UNG
SCHEMBL18259815 0.76 NPC1 (0.52) SMN1; SMN2EPHX1PAX8L3MBTL1NAAA

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-3383867-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2021-04-14 — — EP disclosed
EP-3383867-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2018-10-10 — — EP disclosed
US-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 — — US disclosed
US-9932338-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-03 — — US disclosed
WO-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — WO disclosed
US-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — US disclosed
WO-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — WO disclosed
US-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — 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 (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-20170158694-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B SMN1; SMN2 2776/4885EPHX1 1279/4885ATM 2210/4885

“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.

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