SCHEMBL721458

SCHEMBL721458

O=c1[nH]c2cc3c(cc2[nH]1)CCNCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ADCY6 O43306 1/20 0.48
ADCY3 O60266 1/20 0.48
ADCY9 O60503 1/20 0.48
ADCY5 O95622 1/20 0.48
ADCY8 P40145 1/20 0.48
ADCY7 P51828 1/20 0.48
ADCY2 Q08462 1/20 0.48
ADCY1 Q08828 1/20 0.48
ADCY4 Q8NFM4 1/20 0.48
HTR2C P28335 9/20 0.42
HTR2B P41595 7/20 0.42
HTR2A P28223 2/20 0.42
PDE3B Q13370 1/20 0.41

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
SCHEMBL718661 0.72 CA12 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL720699 0.70 LMNA (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL719782 0.70 MAPKAPK2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9703662 0.70 AR (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9379542 0.67 KIF11 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12965865 0.67 ADCY6 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4860712 0.66 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27176721 0.65 ADCY6 (0.56) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5793449 0.65 ADCY6 (1.00) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL11742860 0.65 ADCY6 (0.56) ADCY6ADCY3ADCY9ADCY5ADCY8

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 2 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

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 GRIN2D 67/4885GRIN3B 25/4885GRIN1 24/4885

“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.