SCHEMBL4590217

SCHEMBL4590217

CC(=O)C=Cc1ccc2[nH]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.57
▸ CYP2A6 P11509 1/20 0.57
▸ HDAC2 Q92769 1/20 0.56
▸ IAPP P10997 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ ESR1 P03372 1/20 0.48
▸ ITGB2 P05107 1/20 0.47
▸ ICAM1 P05362 1/20 0.47
▸ ITGAL P20701 1/20 0.47
▸ GPR183 P32249 1/20 0.45
▸ APP P05067 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GLA P06280 1/20 0.44

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
SCHEMBL4590213 1.00 BACE1 (0.57) BACE1CYP2A6HDAC2IAPPPTGS1
SCHEMBL3446464 0.85 CYP2A6 (0.59) BACE1CYP2A6HDAC2GRIN2DGRIN3B
SCHEMBL31419517 0.85 CYP2A6 (0.59) BACE1CYP2A6HDAC2GRIN2DGRIN3B
SCHEMBL3446463 0.85 CYP2A6 (0.59) BACE1CYP2A6HDAC2GRIN2DGRIN3B
SCHEMBL3214658 0.84 BACE1 (0.72) BACE1CYP2A6HDAC2PTGS1GRIN2D
SCHEMBL3214676 0.84 BACE1 (0.72) BACE1CYP2A6HDAC2PTGS1GRIN2D
SCHEMBL27325349 0.84 CYP2A6 (0.57) BACE1CYP2A6HDAC2GRIN2DGRIN3B
SCHEMBL15474453 0.84 BACE1 (0.68) BACE1CYP2A6HDAC2PTGS1ESR1
SCHEMBL15474451 0.84 BACE1 (0.68) BACE1CYP2A6HDAC2PTGS1ESR1
SCHEMBL6071057 0.83 BACE1 (0.64) BACE1CYP2A6HDAC2ESR1APP

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 BACE1 2098/4885CYP2A6 1054/4885HDAC2 745/4885
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C BACE1 1780/4885CYP2A6 1389/4885HDAC2 250/4885

“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.

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