SCHEMBL722016

SCHEMBL722016

CN(C)c1cnc2cc3c(cc2n1)CCNCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
CDK6 Q00534 5/20 0.38
PIM1 P11309 2/20 0.36
ADCY6 O43306 1/20 0.36
ADCY3 O60266 1/20 0.36
ADCY9 O60503 1/20 0.36
ADCY5 O95622 1/20 0.36
ADCY8 P40145 1/20 0.36
ADCY7 P51828 1/20 0.36
ADCY2 Q08462 1/20 0.36
ADCY1 Q08828 1/20 0.36
ADCY4 Q8NFM4 1/20 0.36
HTR2B P41595 9/20 0.36
HTR2C P28335 7/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HTR2A P28223 2/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL719123 0.80 DRD2 (0.44) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL719352 0.77 NCF1 (0.43) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL718360 0.75 DRD2 (0.41) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL719120 0.75 ALDH1A1 (0.52) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL719753 0.74 HTR2C (0.42) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL24638666 0.73 HTR2C (0.36) CDK6PIM1HTR2BHTR2CHTR2A
SCHEMBL30932835 0.73 HTR2C (0.36) CDK6PIM1HTR2BHTR2CHTR2A
SCHEMBL721453 0.71 DRD2 (0.49) DRD2ADCY6ADCY3ADCY9ADCY5
SCHEMBL720637 0.70 ADCY6 (0.50) DRD2ADCY6ADCY3ADCY9ADCY5
Hydrochloric Acid SCHEMBL722803 0.69 ADCY6 (0.48) 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
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
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 282/4885CDK6 1597/4885PIM1 4827/4885

“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.