SCHEMBL3645647

SCHEMBL3645647

c1ccc(Oc2cccc(NC[C@@H]3CCCN3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.51
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRND Q07001 1/20 0.47

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
SCHEMBL3647070 1.00 LTA4H (0.51) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13943579 1.00 LTA4H (0.51) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4324109 0.88 LTA4H (0.58) LTA4HCHRNB2CHRNA4
SCHEMBL3329262 0.83 LTA4H (0.52) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1116568 0.83 LTA4H (0.52) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1116569 0.83 LTA4H (0.52) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12480776 0.82 CHRNB4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL12480778 0.82 CHRNB4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4202021 0.80 LTA4H (0.40) LTA4HCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4374404 0.78 POLB (0.57) LTA4H

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
US-8389507-B2 2-azetidinemethaneamines and 2-pyrrolidinemethaneamines as TAAR-ligands HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389507-B2 2-azetidinemethaneamines and 2-pyrrolidinemethaneamines as TAAR-ligands HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389507-B2 2-azetidinemethaneamines and 2-pyrrolidinemethaneamines as TAAR-ligands HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS GALLEY GUIDO (DE) 2013-01-03 US disclosed
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS GALLEY GUIDO (DE) 2013-01-03 US disclosed
EP-2183216-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
WO-2009016048-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS HOFFMANN-LA ROCHE, INC. 2009-01-29 US disclosed
US-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS HOFFMANN-LA ROCHE, INC. 2009-01-29 US disclosed
US-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS HOFFMANN-LA ROCHE, INC. 2009-01-29 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-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R LTA4H 2613/4885CHRNB2 333/4885CHRNA4 218/4885
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R LTA4H 2613/4885CHRNB2 333/4885CHRNA4 218/4885

“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.