SCHEMBL720039

SCHEMBL720039

O=C(O)N1CCc2cc3nccnc3cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ECE2 P0DPD6 1/20 0.40
DRD2 P14416 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
GAA P10253 3/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 1/20 0.35
GLA P06280 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
NOTUM Q6P988 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
SCHEMBL719748 0.80 ESR1 (0.52) HPGDECE2HTTESR1ESR2
SCHEMBL3715395 0.75 ESR1 (0.48) HPGDECE2HTTESR1ESR2
SCHEMBL719491 0.75 DRD2 (0.38) DRD2GAAKMT2AMEN1KDM4E
SCHEMBL717813 0.74 MEN1 (0.52) DRD2GAAKMT2AMEN1GLA
SCHEMBL28935881 0.70 GRM5 (0.50) HPGDGAAKMT2AMEN1HTT
SCHEMBL3718302 0.70 ESR2 (0.49) HTTKDM4EESR2SMN1; SMN2
SCHEMBL2124966 0.70 NOTUM (0.60) HPGDKMT2AMEN1HTTKDM4E
SCHEMBL5316006 0.69 ESR2 (0.39) HPGDGAAKMT2AMEN1HTT
SCHEMBL2718338 0.69 ABHD6 (0.51) HPGDGAAHTTSMN1; SMN2
SCHEMBL5557727 0.69 KDM4E (0.55) DRD2GAAKMT2AMEN1KDM4E

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 2 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 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 HPGD 1966/4885ECE2 2288/4885DRD2 282/4885

“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.