SCHEMBL4890683

SCHEMBL4890683

CC(=O)C=Cc1cc(Cl)cc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
IKBKB O14920 3/20 0.40
CHUK O15111 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
IAPP P10997 2/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C1 P04150 1/20 0.35
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35
AHR P35869 1/20 0.35
NR4A2 P43354 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.35
HRH4 Q9H3N8 5/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL4890681 1.00 BACE1 (0.46) BACE1IKBKBCHUKLMNAMAPT
SCHEMBL4889358 0.84 BACE1 (0.48) BACE1IKBKBCHUKLMNAMAPT
SCHEMBL4889356 0.84 BACE1 (0.48) BACE1IKBKBCHUKLMNAMAPT
SCHEMBL3785280 0.78 BACE1 (0.72) BACE1LMNAMAPTIAPPKDM4E
SCHEMBL3785281 0.78 BACE1 (0.72) BACE1LMNAMAPTIAPPKDM4E
SCHEMBL4886068 0.77 ERN1 (0.44) BACE1IKBKBCHUKF7LTA4H
Acetic Acid SCHEMBL27942660 0.74 IKBKB (0.43) IKBKBCHUKKDM4EF7LTA4H
SCHEMBL7687335 0.70 MAPT (0.46) LMNAMAPTIAPPKDM4EKMT2A
SCHEMBL7687333 0.70 MAPT (0.46) LMNAMAPTIAPPKDM4EKMT2A
SCHEMBL1137882 0.70 TDO2 (0.51) BACE1IKBKBCHUKLMNAMAPT

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-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US 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 BACE1 2098/4885IKBKB 1114/4885CHUK 617/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C BACE1 1780/4885IKBKB 1181/4885CHUK 738/4885

“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.