SCHEMBL3515853

SCHEMBL3515853

O=C(O)c1n[nH]c2c1CCC(c1ccc(F)cc1)=C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HAO2 Q9NYQ3 1/20 0.42
CA12 O43570 1/20 0.41
ALPL P05186 1/20 0.41
RPA1 P27694 1/20 0.41
HCAR2 Q8TDS4 6/20 0.41
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37

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
SCHEMBL3521480 0.84 FGFR4 (0.40) ALPLKMT2A
SCHEMBL3752473 0.77 UGCG (0.42)
SCHEMBL10216360 0.67 MAPKAPK2 (0.39) HAO2CA12ALPLRPA1HCAR2
SCHEMBL4964605 0.66 HAO2 (0.53) HAO2CA12ALPLRPA1HCAR2
SCHEMBL4591235 0.64 GYS1 (0.51) HAO2CA12ALPLRPA1KMT2A
SCHEMBL23147812 0.63 HAO2 (0.64) HAO2CA12ALPLRPA1HCAR2
SCHEMBL5255490 0.62 MAPK14 (0.61) HAO2
SCHEMBL7646423 0.62 HAO2 (0.49) HAO2CA12ALPLRPA1KMT2A
SCHEMBL30078174 0.62 HAO2 (0.55) HAO2CA12ALPLRPA1HCAR2
SCHEMBL1929469 0.62 CA12 (0.49) HAO2CA12ALPLRPA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910170-A (1,4-diazabicyclo [3.2.2] ninth of the ten Heavenly Stems-6-alkene-4-yl)-heterocyclic radical-ketone part that is used for the treatment of the nicotinic acetylcholine receptor of disease MEMORY PHARM CORP 2010-12-08 CN 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
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 HAO2 3376/4885CA12 4828/4885ALPL 4622/4885

“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.