SCHEMBL719782

SCHEMBL719782

O=c1cnc2cc3c(cc2[nH]1)CCNCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
SMYD3 Q9H7B4 2/20 0.44
ALDH1A1 P00352 1/20 0.42
DRD2 P14416 2/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37
ADCY1 Q08828 1/20 0.37
ADCY4 Q8NFM4 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL720041 0.88 SMYD3 (0.42) MAPKAPK2RPS6KA3CSNK2A1PLK3SMYD3
SCHEMBL718874 0.72 ESR1 (0.43) MAPKAPK2RPS6KA3CSNK2A1PLK3SMYD3
SCHEMBL718877 0.72 MAPT (0.47) ALDH1A1DRD2ADCY6ADCY3ADCY9
SCHEMBL721458 0.70 GRIN2D (0.50) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL706525 0.69 MAPKAPK2 (0.53) MAPKAPK2RPS6KA3CSNK2A1PLK3SMYD3
SCHEMBL2948093 0.69 MAPKAPK2 (0.53) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL31214307 0.69 RPS6KA3 (0.53) MAPKAPK2RPS6KA3CSNK2A1PLK3SMYD3
SCHEMBL2947345 0.69 MAPKAPK2 (0.53) MAPKAPK2RPS6KA3CSNK2A1PLK3ALDH1A1
SCHEMBL720947 0.69 CHRNB2 (0.47) ALDH1A1DRD2ADCY6ADCY3ADCY9
SCHEMBL718661 0.69 CA12 (0.46) DRD2ADCY6ADCY3ADCY9ADCY5

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 5 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
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
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 MAPKAPK2 1729/4885RPS6KA3 3126/4885CSNK2A1 1269/4885

“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.