SCHEMBL18259815

SCHEMBL18259815

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ EPHX1 P07099 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NAAA Q02083 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ PAX8 Q06710 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 0.94 NPC1 (0.58) NPC1RAB9AALDH1A1EPHX1HPGD
SCHEMBL18259868 0.87 POLB (0.61) NPC1RAB9AALDH1A1EPHX1HPGD
SCHEMBL18918566 0.87 SMN1; SMN2 (0.57) EPHX1L3MBTL1SMN1; SMN2NAAAKMT2A
SCHEMBL6709136 0.81 EPHX1 (0.56) NPC1RAB9AEPHX1SMN1; SMN2TSHR
SCHEMBL560070 0.81 HTT (0.55) EPHX1HPGDTSHRNAAAMAPK1
SCHEMBL10137835 0.80 NPC1 (0.60) NPC1RAB9AALDH1A1HPGDL3MBTL1
SCHEMBL18271811 0.80 EPHX1 (0.46) NPC1RAB9AALDH1A1EPHX1L3MBTL1
SCHEMBL21573574 0.80 EPHX1 (0.40) ALDH1A1EPHX1SMN1; SMN2TSHRMAPK1
SCHEMBL17978853 0.79 NPC1 (0.48) NPC1RAB9AALDH1A1EPHX1HPGD
SCHEMBL9313528 0.79 ALDH1A1 (0.64) NPC1RAB9AALDH1A1HPGDL3MBTL1

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 NPC1 2089/4885RAB9A 1899/4885ALDH1A1 690/4885

“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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