SCHEMBL4642745

SCHEMBL4642745

C[C@@H]1C[C@@]1(COc1ccc(Cl)nc1)N(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.51
CHRNA4 P43681 5/20 0.51
CHRNA3 P32297 3/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNB1 P11230 1/20 0.44
CHRNB3 Q05901 1/20 0.44

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
SCHEMBL5119044 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL5102976 0.98 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4648116 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL5423921 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642488 0.80 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642642 0.80 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL5108285 0.79 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4644563 0.78 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642427 0.78 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL4642542 0.78 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748043-B1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2008-08-20 EP claimed
US-7348344-B2 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-03-25 US claimed
US-20070027191-A1 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2007-02-01 US claimed
EP-1748043-A1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2007-01-31 EP claimed
EP-1748043-B1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2008-08-20 EP disclosed
US-7348344-B2 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-03-25 US disclosed
US-20070027191-A1 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2007-02-01 US disclosed
EP-1748043-A1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2007-01-31 EP 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-20070027191-A1 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds CHRM1, CHRNA1, CHRNA9 CHRNB2 22/4885CHRNA4 9/4885CHRNA3 13/4885

“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.