SCHEMBL3520429

SCHEMBL3520429

O=C(O)c1n[nH]c2c1COc1cc(Br)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 1/20 0.35
ESRRB O95718 1/20 0.35
ESRRA P11474 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
APP P05067 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34

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
SCHEMBL3518546 0.90 MAPT (0.40) KDM4EALDH1A1ALPLHSD17B10PGR
SCHEMBL3515824 0.83 MAPT (0.42) KDM4EALDH1A1ALPLHSD17B10KMT2A
SCHEMBL3747711 0.81 KMT2A (0.44) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL2171482 0.81 KDM4E (0.59) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL3518550 0.80 MAPT (0.39) KDM4EALDH1A1ALPLHSD17B10PGR
SCHEMBL3520556 0.79 CHRNA7 (0.39)
SCHEMBL4779778 0.78 ALPL (0.40) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL2172075 0.77 KDM4E (0.42) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL4728060 0.76 ALPL (0.43) HCAR2KDM4EALDH1A1ALPLHSD17B10
SCHEMBL13788560 0.76 AR (0.38) HCAR2KDM4EALDH1A1ALPLHSD17B10

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 4 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 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 HCAR2 57/4885KDM4E 2916/4885ALDH1A1 1722/4885

“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.