SCHEMBL719739

SCHEMBL719739

Cc1cc2cc3c(cc2nc1C)CCNCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
RXFP1 Q9HBX9 3/20 0.38
HTR2C P28335 8/20 0.35
HTR2B P41595 8/20 0.35
HTR2A P28223 2/20 0.35
TERT O14746 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL721453 0.83 DRD2 (0.49) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL718663 0.75 CYP1A2 (0.46) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL13310894 0.74 HTR2C (0.46) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL721243 0.72 DRD2 (0.41) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL720033 0.72 NCF1 (0.42) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL9797601 0.71 TERT (0.46) TERTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL11742860 0.71 ADCY6 (0.56) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL719123 0.69 DRD2 (0.44) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL719352 0.68 NCF1 (0.43) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL719733 0.68 HTR2C (0.42) 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 3 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
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 DRD2 282/4885ADCY6 1033/4885ADCY3 724/4885

“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.