SCHEMBL3646815

SCHEMBL3646815

CCN(C[C@@H]1CCCN1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 10/20 0.48
▸ LTA4H P09960 4/20 0.46
▸ CNR2 P34972 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 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
SCHEMBL13943098 1.00 GHSR (0.48) GHSRLTA4HCNR2CHRNB2CHRNA4
SCHEMBL3643849 1.00 GHSR (0.48) GHSRLTA4HCNR2CHRNB2CHRNA4
SCHEMBL13943896 0.89 CNR2 (0.42) GHSRCNR2SLC6A2SLC6A4SLC6A3
SCHEMBL3648982 0.89 CNR2 (0.42) GHSRCNR2SLC6A2SLC6A4SLC6A3
SCHEMBL3646957 0.85 CHRNB2 (0.42) GHSRCHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL3652735 0.82 GHSR (0.50) GHSRLTA4H
SCHEMBL13943577 0.82 GHSR (0.50) GHSRLTA4H
SCHEMBL13943090 0.79 CHRNB4 (0.42) GHSRCHRNB2CHRNA4
SCHEMBL3644382 0.79 CHRNB4 (0.42) GHSRCHRNB2CHRNA4
SCHEMBL3642601 0.75 CHRNB2 (0.41) GHSRCHRNB2CHRNA4

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 GHSR 72/4885LTA4H 2613/4885CNR2 78/4885
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R GHSR 72/4885LTA4H 2613/4885CNR2 78/4885

“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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