SCHEMBL4886727

SCHEMBL4886727

CC(=O)CCn1cnnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
EGLN3 Q9H6Z9 1/20 0.36
LMNA P02545 2/20 0.35
SLC15A2 Q16348 1/20 0.35
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
RXFP1 Q9HBX9 2/20 0.32
MAPK1 P28482 1/20 0.32
PLAA Q9Y263 1/20 0.32
PAOX Q6QHF9 2/20 0.31
ACHE P22303 2/20 0.31
USP2 O75604 1/20 0.31
TNF P01375 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
ADORA2B P29275 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL4288379 0.74 EGLN3 (0.69) ALDH1A1EGLN3
SCHEMBL13296619 0.73 TSHR (0.43) ALDH1A1TSHR
SCHEMBL412431 0.70 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1ALPG
Hydrochloric Acid SCHEMBL2977516 0.69 PDE4A (0.34) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL4291632 0.66 EGLN3 (0.69) ALDH1A1EGLN3USP2CYP1A2TSHR
SCHEMBL5729887 0.66 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1CYP1A2TSHR
SCHEMBL412441 0.66 ALDH1A1 (0.35) ALDH1A1LMNASLC15A2
SCHEMBL2360784 0.66 FOLH1 (0.39) ALDH1A1
SCHEMBL4249046 0.64 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL10001 0.62

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
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 US disclosed
US-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES PFIZER LIMITED (GB) 2008-10-30 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 (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-20080267942-A1 BENZAZEPIN-2(1H)-ONE DERIVATIVES ADRB2, ADRB1, ADRA2C ALDH1A1 645/4885EGLN3 2315/4885LMNA 865/4885

“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.