SCHEMBL719710

SCHEMBL719710

Cc1ccc2cc3c(cc2n1)CCN(C)CC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
DRD2 P14416 4/20 0.45
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
UBE2N P61088 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
TP53 P04637 1/20 0.41
DRD1 P21728 3/20 0.40
DRD5 P21918 3/20 0.40
DRD3 P35462 3/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL719099 0.81 DRD2 (0.44) DRD2KDM4EMEN1KMT2AALDH1A1
SCHEMBL718663 0.79 CYP1A2 (0.46) CYP1A2DRD2KDM4ELMNAPOLB
SCHEMBL720478 0.78 DRD1 (0.45) DRD2DRD1DRD5DRD3MAOA
SCHEMBL718246 0.76 DRD2 (0.46) DRD2KDM4EALDH1A1DRD1DRD5
SCHEMBL719896 0.74 CHKA (0.48) CYP1A2DRD2KDM4EMEN1KMT2A
SCHEMBL10259445 0.73 CYP1A2 (0.68) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL17984827 0.72 CYP2C9 (0.43) DRD2KDM4EKMT2AALDH1A1GAA
SCHEMBL9217980 0.71 CYP1A2 (0.65) CYP1A2KDM4EMEN1KMT2ALMNA
SCHEMBL23442944 0.69 QDPR (0.54) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL12049225 0.69 KDM4E (0.37) CYP1A2KDM4EMEN1KMT2AALDH1A1

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 CYP1A2 2422/4885DRD2 282/4885KDM4E 2568/4885

“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.