SCHEMBL3517488

SCHEMBL3517488

COc1ccc2c(c1)OCc1c(C(=O)N3CCN4CCC3CC4)n[nH]c1-2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 9/20 0.49
HTR3A P46098 1/20 0.40
CHRNA7 P36544 2/20 0.38
CHRNA3 P32297 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL3517431 0.94 UGCG (0.49) UGCGHTR3ACHRNA7CHRNA3PGR
SCHEMBL3520556 0.86 CHRNA7 (0.39) UGCGHTR3ACHRNA7CHRNA3
SCHEMBL3521265 0.84 ALPL (0.43) UGCGHTR3ACHRNA7CHRNA3KDM4E
SCHEMBL13788543 0.84 UGCG (0.42) UGCGHTR3ACHRNA7CHRNA3MAPT
Hydrochloric Acid SCHEMBL3518769 0.84 ALPL (0.43) UGCGHTR3ACHRNA7CHRNA3KDM4E
SCHEMBL3518362 0.83 UGCG (0.41) UGCGCHRNA7
SCHEMBL3518312 0.81 UGCG (0.43) UGCGHTR3ACHRNA7
SCHEMBL3747711 0.80 KMT2A (0.44) KDM4EMAPTKMT2ANPC1ALDH1A1
SCHEMBL1573168 0.76 UGCG (0.51) UGCGCHRNA7CHRNA3
SCHEMBL12715304 0.76 UGCG (0.51) UGCGCHRNA7CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US claimed
EP-2212321-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE Memory Pharmaceuticals Corporation (US) 2010-08-04 EP claimed
WO-2009055437-A9 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARM CORP (US) 2009-07-23 WO claimed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 WO claimed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
US-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease MEMORY PHARMACEUTICALS CORPORATION (US) 2010-11-25 US disclosed
EP-2212321-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE Memory Pharmaceuticals Corporation (US) 2010-08-04 EP disclosed
WO-2009055437-A9 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARM CORP (US) 2009-07-23 WO disclosed
WO-2009055437-A2 (1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE MEMORY PHARMACEUTICALS CORPORATION (US) 2009-04-30 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-20100298306-A1 (1,4-Diaza-bicyclo[3.2.2]non-6-en-4-yl)-heterocyclyl-methanone Ligands for Nicotinic Acetylcholine Receptors, Useful for the Treatment of Disease CHRNA7, CHRNA6, CHRNA5 UGCG 4258/4885HTR3A 369/4885CHRNA7 1/4885

“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.