SCHEMBL720947

SCHEMBL720947

Cc1nc2cc3c(cc2[nH]1)CCNCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
POLB P06746 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 4/20 0.43
DRD2 P14416 1/20 0.42
ADCY6 O43306 1/20 0.39
ADCY3 O60266 1/20 0.39
ADCY9 O60503 1/20 0.39
ADCY5 O95622 1/20 0.39
ADCY8 P40145 1/20 0.39
ADCY7 P51828 1/20 0.39
ADCY2 Q08462 1/20 0.39
ADCY1 Q08828 1/20 0.39
ADCY4 Q8NFM4 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13998791 0.85 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL3478940 0.85 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL14648511 0.84 CHRNB2 (0.45) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438631 0.81 CHRNB2 (0.50) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12440388 0.81 CHRNB2 (0.43) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL719765 0.81 DRD2 (0.44) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL13072959 0.79 CHRNB2 (0.45) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438629 0.79 CHRNB2 (0.42) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438886 0.78 CHRNB2 (0.46) CHRNB2CHRNA4MAPTKDM4EPOLB
SCHEMBL12438622 0.77 CHRNB2 (0.40) CHRNB2CHRNA4MAPTKDM4EPOLB

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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US claimed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 WO claimed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 CHRNB2 5/4885CHRNA4 4/4885MAPT 415/4885

“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.