SCHEMBL4644563

SCHEMBL4644563

C[C@@H]1C[C@]1(COc1cccnc1)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.51
CHRNA4 P43681 8/20 0.51
CHRNA3 P32297 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRND Q07001 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
SCHEMBL4642427 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4645743 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4642547 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
Hydrochloric Acid SCHEMBL5109663 0.99 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
Hydrochloric Acid SCHEMBL5108669 0.99 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4642479 0.85 OPRM1 (0.44) CHRNB2CHRNA4
SCHEMBL5426512 0.85 OPRM1 (0.44) CHRNB2CHRNA4
SCHEMBL4642585 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL3152719 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL4642653 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1

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 2 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-20070027191-A1 Polysubstituted 1,1-pyridyloxycyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2007-02-01 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 (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.