SCHEMBL718661

SCHEMBL718661

O=c1ccc2cc3c(cc2[nH]1)CCNCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
F11 P03951 1/20 0.44
MAPK1 P28482 4/20 0.44
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

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 SCHEMBL722169 0.87 AR (0.38) CA12CA9CA1CA3CA4
SCHEMBL13849654 0.85 GRIN2D (0.53) CA12CA9CA1CA3CA4
SCHEMBL13849655 0.85 CA12 (0.48) CA12CA9CA1CA3CA4
SCHEMBL13849659 0.84 CA12 (0.47) CA12CA9CA1CA3CA4
SCHEMBL17951770 0.74 MAPK1 (0.68) CA12CA9CA1CA3CA4
SCHEMBL608013 0.73 AR (0.53) CA12CA9CA1CA3CA4
SCHEMBL721458 0.72 GRIN2D (0.50) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL5228055 0.72 AR (0.49) CA12CA9CA1CA3CA4
SCHEMBL719752 0.70 ESR1 (0.48) MAPK1ARKIF11DRD2DRD3
SCHEMBL12965865 0.70 ADCY6 (0.42) 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 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 CA12 4298/4885CA9 4814/4885CA1 1989/4885

“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.