SCHEMBL718246

SCHEMBL718246

Cc1cnc2cc3c(cc2n1)CCN(C)CC3

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
HRH4 Q9H3N8 4/20 0.39
HTR3A P46098 2/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
DRD1 P21728 3/20 0.37
DRD5 P21918 3/20 0.37
DRD3 P35462 3/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
DRD4 P21917 1/20 0.34

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
SCHEMBL719961 0.82 ALDH1A1 (0.55) DRD2HRH4HTR3AMAOAMAOB
SCHEMBL719716 0.80 MAOA (0.44) DRD2HRH4HTR3AMAOAMAOB
SCHEMBL717813 0.78 MEN1 (0.52) DRD2MAOAMAOBDRD1DRD5
SCHEMBL719123 0.78 DRD2 (0.44) DRD2ALDH1A1
SCHEMBL24140225 0.77 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL719710 0.76 CYP1A2 (0.46) DRD2HTR3AMAOAMAOBDRD1
SCHEMBL29639032 0.73 ALDH1A1 (0.61) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2679771 0.73 ALDH1A1 (0.61) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18563789 0.70 MAOA (0.49) DRD2MAOAMAOBDRD1DRD5
SCHEMBL29639044 0.70 ALDH1A1 (0.52) HRH4NPC1RAB9ASMN1; SMN2ALDH1A1

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 DRD2 282/4885HRH4 319/4885HTR3A 201/4885

“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.