SCHEMBL3644382

SCHEMBL3644382

CCN(C[C@@H]1CCCN1)c1ccc(Cl)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 3/20 0.42
▸ CHRNA3 P32297 3/20 0.42
▸ GHSR Q92847 12/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.38

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
SCHEMBL13943090 1.00 CHRNB4 (0.42) CHRNB4CHRNA3GHSRCHRNB2CHRNA4
SCHEMBL3646957 0.86 CHRNB2 (0.42) GHSRCHRNB2CHRNA4
SCHEMBL3646824 0.85 CHRNB4 (0.44) CHRNB4CHRNA3GHSR
SCHEMBL13943096 0.85 CHRNB4 (0.44) CHRNB4CHRNA3GHSR
SCHEMBL13943580 0.82 GHSR (0.46) CHRNB4CHRNA3GHSR
SCHEMBL3651845 0.82 GHSR (0.46) CHRNB4CHRNA3GHSR
SCHEMBL3646815 0.79 GHSR (0.48) GHSRCHRNB2CHRNA4
SCHEMBL13943098 0.79 GHSR (0.48) GHSRCHRNB2CHRNA4
SCHEMBL3643849 0.79 GHSR (0.48) GHSRCHRNB2CHRNA4
SCHEMBL3762400 0.73 GHSR (0.44) CHRNB4CHRNA3GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183216-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP claimed
WO-2009016048-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO claimed
US-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS HOFFMANN-LA ROCHE, INC. 2009-01-29 — — US claimed
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
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 CHRNB4 423/4885CHRNA3 251/4885GHSR 72/4885
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R CHRNB4 423/4885CHRNA3 251/4885GHSR 72/4885

“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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