SCHEMBL4595500

SCHEMBL4595500

CC(=O)CCc1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
HTR6 P50406 1/20 0.63
CHRNB2 P17787 1/20 0.57
CHRNA7 P36544 1/20 0.57
CHRNA4 P43681 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
PLA2G4A P47712 1/20 0.55
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
CYP19A1 P11511 1/20 0.53
PADI4 Q9UM07 1/20 0.53

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
SCHEMBL2006750 0.89 PLA2G4A (0.68) POLBHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL5329307 0.83 POLB (0.72) POLBHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL27458166 0.83 POLB (0.60) POLBHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL9670003 0.83 POLB (0.60) POLBHTR6MAPTPLA2G4AHDAC6
SCHEMBL15700115 0.81 POLB (0.83) POLBHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL1859925 0.81 POLB (0.64) POLBHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL12706043 0.81 CHRNB2 (0.68) POLBHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL2051630 0.80 ALDH1A1 (0.80) POLBHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL8696232 0.79 POLB (0.55) POLBHTR6MAPTALDH1A1PLA2G4A
SCHEMBL7113697 0.79 POLB (0.74) POLBHTR6CHRNB2CHRNA7CHRNA4

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-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
WO-2008050207-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-05-02 WO disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US 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 (2 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-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C POLB 2341/4885HTR6 243/4885CHRNB2 132/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C POLB 2708/4885HTR6 992/4885CHRNB2 47/4885

“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.