SCHEMBL18259868

SCHEMBL18259868

CCOC(CCCNC(=O)c1ccc(C(=O)OC)cc1)OCC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.53
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ HPGD P15428 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29798859 0.93 NPC1 (0.58) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL18259815 0.87 NPC1 (0.52) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL18918531 0.87 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPTEPHX1L3MBTL1
SCHEMBL17981317 0.84 MAPK1 (0.61) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL5554988 0.82 POLB (0.87) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL9313528 0.81 ALDH1A1 (0.64) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL23223972 0.80 SMN1; SMN2 (0.51) POLBSMN1; SMN2MAPTEPHX1L3MBTL1
SCHEMBL10874810 0.80 POLB (0.84) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL14424705 0.80 POLB (0.84) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL18023657 0.80 PLK1 (0.50) POLBALDH1A1NPC1RAB9AHPGD

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
CN-107690432-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2019-12-24 — — CN disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
EP-3303333-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2018-04-11 — — EP disclosed
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 — — US disclosed
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 — — US disclosed
WO-2016193241-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-08 — — WO disclosed
WO-2016193241-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-08 — — WO disclosed
US-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 — — US disclosed
US-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 — — 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-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A POLB 1925/4885ALDH1A1 690/4885NPC1 2089/4885

“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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