SCHEMBL719964

SCHEMBL719964

Nc1cc2c(cc1N)CCNCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.56
ADCY3 O60266 1/20 0.56
ADCY9 O60503 1/20 0.56
ADCY5 O95622 1/20 0.56
ADCY8 P40145 1/20 0.56
ADCY7 P51828 1/20 0.56
ADCY2 Q08462 1/20 0.56
ADCY1 Q08828 1/20 0.56
ADCY4 Q8NFM4 1/20 0.56
HTR2C P28335 6/20 0.48
HTR2B P41595 5/20 0.48
HTR2A P28223 2/20 0.48
DRD2 P14416 3/20 0.47
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 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
SCHEMBL6187201 0.80 HTR2A (0.65) ADCY6ADCY3ADCY9ADCY5ADCY8
Hydrochloric Acid SCHEMBL6365825 0.77 ADCY6 (0.41) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL29119485 0.76 MAPT (0.49) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL29859791 0.76 MAPT (0.49) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL1947625 0.75 HTR2C (0.57) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL17073471 0.74 PNMT (0.43) DRD2ASIC3CD44DRD3PNMT
SCHEMBL27087829 0.74 PNMT (0.52) HTR2CHTR2BHTR2AGAAASIC3
SCHEMBL25559173 0.74 PNMT (0.47) ASIC3CD44PNMTMAOB
SCHEMBL25557986 0.74 PNMT (0.47) ASIC3CD44PNMTMAOB
SCHEMBL8257457 0.74 PNMT (0.43) DRD2ASIC3CD44DRD3PNMT

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 ADCY6 1033/4885ADCY3 724/4885ADCY9 887/4885

“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.