SCHEMBL720478

SCHEMBL720478

COc1ccc2cc3c(cc2n1)CCN(C)CC3

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.45
DRD5 P21918 8/20 0.45
DRD2 P14416 7/20 0.45
DRD3 P35462 6/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SLC6A4 P31645 1/20 0.44
DRD4 P21917 5/20 0.42
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL719733 0.81 HTR2C (0.42) DRD2
SCHEMBL719710 0.78 CYP1A2 (0.46) DRD1DRD5DRD2DRD3MAOA
SCHEMBL719716 0.77 MAOA (0.44) DRD1DRD5DRD2DRD3MAOA
SCHEMBL719099 0.77 DRD2 (0.44) DRD1DRD5DRD2DRD3MAOA
SCHEMBL4216096 0.75 KDM4E (0.55)
SCHEMBL4214343 0.74 HTR3A (0.54)
Trifluoroacetic Acid SCHEMBL720167 0.70 KDM1A (0.39) PRMT5WDR77
SCHEMBL719896 0.70 CHKA (0.48) DRD2MAOAMAOBSLC6A4
SCHEMBL31046620 0.69 CYP2C19 (0.47) DRD1DRD5DRD2DRD3MAOA
SCHEMBL18034936 0.69 CYP2C19 (0.47) DRD1DRD5DRD2DRD3MAOA

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 DRD1 537/4885DRD5 702/4885DRD2 282/4885

“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.