SCHEMBL4962589

SCHEMBL4962589

Fc1ccccc1CNC1CN2CCC1CC2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.52
KDM1A O60341 2/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CHRNA7 P36544 5/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL5127058 0.82 GAA (0.64) GAAMEN1KMT2ASMN1; SMN2CHRNA7
SCHEMBL3695388 0.81 MEN1 (0.54) GAAMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL3695387 0.81 MEN1 (0.54) GAAMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL5203595 0.80 GAA (0.65) GAAMEN1KMT2ASMN1; SMN2CHRNA7
SCHEMBL7955416 0.79 GAA (0.64) GAAMEN1KMT2AKDM1AMAOA
SCHEMBL3932594 0.78 GAA (0.70) GAAMEN1KMT2ASMN1; SMN2KDM1A
SCHEMBL6135838 0.77 GAA (0.61) GAAMEN1KMT2ASMN1; SMN2CHRNA7
SCHEMBL5802421 0.77 GAA (0.61) GAAMEN1KMT2ASMN1; SMN2CHRNA7
Hydrochloric Acid SCHEMBL30366367 0.75 MEN1 (1.00) GAAMEN1KMT2ASMN1; SMN2KDM1A
Hydrochloric Acid SCHEMBL14119342 0.75 MEN1 (1.00) GAAMEN1KMT2ASMN1; SMN2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558610-B1 SUBSTITUTED AMINOQUINUCLIDINE COMPOUNDS AND THEIR USE AS DELTA-OPIOID RECEPTOR LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2008-02-27 EP disclosed
US-7179818-B2 Substituted aminoquinuclidine compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-20 US disclosed
US-20040110789-A1 Substituted aminoquinuclidine compounds BOYD ROBERT E (US) 2004-06-10 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-20040110789-A1 Substituted aminoquinuclidine compounds OPRD1, OPRK1, OPRM1 GAA 1636/4885MEN1 4876/4885KMT2A 1801/4885

“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.