SCHEMBL720033

SCHEMBL720033

CNc1ccc2cc3c(cc2n1)CCNCC3

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2B P41595 12/20 0.39
HTR2C P28335 7/20 0.37
HTR2A P28223 4/20 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
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MLNR O43193 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
SCHEMBL718663 0.79 CYP1A2 (0.46) DRD2HTR2BHTR2CHTR2AADCY6
SCHEMBL718360 0.77 DRD2 (0.41) DRD2HTR2BHTR2CHTR2AADCY6
SCHEMBL718662 0.76 HTR2C (0.47) DRD2HTR2BHTR2CHTR2AADCY6
SCHEMBL4209329 0.76 HTR2C (0.42) NCF1HTR2BHTR2CHTR2A
SCHEMBL719733 0.75 HTR2C (0.42) DRD2HTR2BHTR2CHTR2AADCY6
SCHEMBL719352 0.75 NCF1 (0.43) NCF1DRD2HTR2BHTR2CHTR2A
Hydrochloric Acid SCHEMBL4207654 0.75 ADRA2A (0.42) HTR2BHTR2CHTR2A
SCHEMBL719739 0.72 DRD2 (0.42) DRD2HTR2BHTR2CHTR2AADCY6
SCHEMBL720303 0.71 HTR2C (0.41) DRD2HTR2BHTR2CHTR2AMLNR
SCHEMBL718762 0.69 NPC1 (0.44) DRD2HTR2BHTR2CHTR2AADCY6

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 4 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
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 NCF1 1321/4885DRD2 282/4885HTR2B 268/4885

“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.