SCHEMBL18918531

SCHEMBL18918531

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ EPHX1 P07099 1/20 0.52
▸ ATM Q13315 1/20 0.48
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PAX8 Q06710 1/20 0.45
▸ KDM5B Q9UGL1 1/20 0.45
▸ CREBBP Q92793 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TP53BP1 Q12888 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CASR P41180 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ NAAA Q02083 1/20 0.42

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
SCHEMBL23223972 0.93 SMN1; SMN2 (0.51) SMN1; SMN2EPHX1ATMGAAMAPT
SCHEMBL18918566 0.89 SMN1; SMN2 (0.57) SMN1; SMN2EPHX1ATMGAAMAPT
SCHEMBL18259868 0.87 POLB (0.61) SMN1; SMN2EPHX1MAPTPOLBL3MBTL1
SCHEMBL18918544 0.83 SMN1; SMN2 (0.50) SMN1; SMN2EPHX1ATMGAAMAPT
SCHEMBL9313118 0.83 SMN1; SMN2 (0.62) SMN1; SMN2GAAMAPTPAX8L3MBTL1
SCHEMBL10793568 0.83 SMN1; SMN2 (0.82) SMN1; SMN2GAAMAPTPOLBKDM5B
SCHEMBL29798859 0.82 NPC1 (0.58) SMN1; SMN2EPHX1POLBL3MBTL1KMT2A
SCHEMBL19943110 0.81 SMN1; SMN2 (0.74) SMN1; SMN2GAAMAPTPOLBKDM5B
SCHEMBL23223763 0.80 SMN1; SMN2 (0.47) SMN1; SMN2EPHX1ATMGAAMAPT
SCHEMBL10790383 0.80 L3MBTL1 (0.67) SMN1; SMN2GAAMAPTPOLBKDM5B

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
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
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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