SCHEMBL6295643

SCHEMBL6295643

COc1ccc2c(c1)C(=O)C(=Cc1ccccn1)C2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
KMT2A Q03164 1/20 0.71
MAOB P27338 3/20 0.58
MIF P14174 4/20 0.57
CYP19A1 P11511 3/20 0.56
ACHE P22303 4/20 0.55
BCHE P06276 2/20 0.55
CES2 O00748 2/20 0.54
MAOA P21397 1/20 0.54
BACE1 P56817 2/20 0.53

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
SCHEMBL12667768 0.83 NPC1 (1.00) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL7787097 0.81 MAOB (0.87) NPC1RAB9AMAOBMIFCYP19A1
SCHEMBL30667154 0.81 MAOB (0.87) NPC1RAB9AMAOBMIFCYP19A1
SCHEMBL7787095 0.81 MAOB (0.87) NPC1RAB9AMAOBMIFCYP19A1
SCHEMBL6291799 0.80 MIF (0.76) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL19499513 0.80 MIF (0.76) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL8465279 0.80 MAOB (0.68) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL8465276 0.80 MAOB (0.68) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL29038294 0.78 CES2 (0.80) MAOBMIFCYP19A1ACHEBCHE
SCHEMBL29038289 0.78 CES2 (0.80) MAOBMIFCYP19A1ACHEBCHE

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
US-6846817-B2 Nicotine receptor ligands REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-01-25 US disclosed
US-20030027810-A1 Nicotine receptor ligands REGENTS OF THE UNIVERSITY OF MINNESOTA 2003-02-06 US disclosed
WO-2000073269-A2 NICOTINE RECEPTOR LIGANDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-12-07 WO 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-20030027810-A1 Nicotine receptor ligands CHRNA1, CHRNB1, CHRNA9 MEN1 2948/4885NPC1 1319/4885RAB9A 1075/4885

“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.