SCHEMBL16697221

SCHEMBL16697221

COc1ccc(C=O)cc1-c1ccc(COc2cccc([C@@H](NC(=O)O)c3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
ERN1 O75460 1/20 0.43
CHRM3 P20309 4/20 0.43
FFAR1 O14842 1/20 0.42
ALOX5 P09917 1/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL20373662 0.91 RAB9A (0.43) RAB9ANPC1TDP1MAOAMAOB
SCHEMBL19903884 0.86 MAOA (0.53) RAB9ANPC1TDP1MAOAMAOB
SCHEMBL15783808 0.83 CHRM3 (0.70) CHRM3
SCHEMBL20373825 0.81 MAOA (0.59) RAB9ANPC1TDP1MAOAMAOB
SCHEMBL14166168 0.77 KMT2A (0.44) MAOAMAOBCHRM3FFAR1MEN1
SCHEMBL19984510 0.77 CHRM3 (0.64) RAB9ANPC1MAOBCHRM3LMNA
SCHEMBL19903853 0.75 MAOB (0.56) RAB9ANPC1TDP1MAOAMAOB
SCHEMBL20373866 0.75 CHRM3 (0.62) RAB9ANPC1CHRM3MEN1KMT2A
SCHEMBL15777839 0.75 SMPD1 (0.55) MAOAMAOBCHRM3MEN1KMT2A
SCHEMBL15777842 0.75 SMPD1 (0.55) MAOAMAOBCHRM3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 EP disclosed
US-9371318-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-06-21 US disclosed
US-20150133491-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-14 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-20150133491-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B RAB9A 2324/4885NPC1 1962/4885TDP1 4240/4885

“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.