SCHEMBL829699

SCHEMBL829699

COc1cc(N)ccc1C1OCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
NR4A1 P22736 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
USP2 O75604 1/20 0.39
CYP19A1 P11511 2/20 0.38
LMNA P02545 1/20 0.38
NR3C1 P04150 1/20 0.37
DRD4 P21917 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5259483 0.98 MAPT (0.43) MAPTGAATSHRMAPK1HTT
SCHEMBL7090123 0.86 KDM4E (0.42) MAPTGAATSHRMAPK1HTT
SCHEMBL27438368 0.81 ACHE (0.48) MAPTGAAMAPK1ALDH1A1NPC1
SCHEMBL15783799 0.80 KDM4E (0.41) TSHRMAPK1KDM4EALDH1A1NPC1
SCHEMBL1704526 0.79 NPC1 (0.39) HTTKDM4EALDH1A1NPC1RAB9A
SCHEMBL25384440 0.79 KDM4E (0.45) MAPTGAAKDM4EALDH1A1NPC1
SCHEMBL22170394 0.77 MAPT (0.42) MAPTGAATSHRMAPK1HTT
SCHEMBL15783792 0.77 ACHE (0.44) MAPTMAPK1HTTALDH1A1NPC1
SCHEMBL28338806 0.77 NPC1 (0.38) GAAHTTALDH1A1NPC1RAB9A
SCHEMBL2570589 0.77 MAPT (0.48) MAPTGAATSHRMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143277-B2 Method of using compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2012-03-27 US disclosed
US-20090239904-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2009-09-24 US disclosed
US-7569586-B2 Compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-20060035933-A1 Compounds having beta adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2006-02-16 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 (2 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-20060035933-A1 Compounds having beta adrenergic receptor agonist and muscarinic receptor antagonist activity ADRA2B, ADRB1, ADRA1B MAPT 3182/4885GAA 4163/4885TSHR 159/4885
US-20090239904-A1 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY ADRA2B, ADRB2, ADRB1 MAPT 3037/4885GAA 4091/4885TSHR 168/4885

“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.