SCHEMBL6280972

SCHEMBL6280972

CC1CCc2c1[nH]c1c(C=O)cccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
HPGD P15428 1/20 0.33
PIM1 P11309 2/20 0.32
PIM3 Q86V86 2/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
KCNJ1 P48048 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CHRNA7 P36544 1/20 0.30
ACHE P22303 1/20 0.30
BRD3 Q15059 1/20 0.30

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
SCHEMBL6275346 0.82 HPGD (0.33) ALDH1A1SIRT1HPGDBRD3
SCHEMBL6275343 0.82 HPGD (0.33) ALDH1A1SIRT1HPGDBRD3
SCHEMBL6283464 0.78 NISCH (0.50) ALDH1A1SIRT1HPGDPIM1PIM3
SCHEMBL6278389 0.77 TRIM24 (0.35) TRIM24TRIM33PIM1PIM3MAPT
SCHEMBL6275658 0.74 ALDH1A1 (0.37) ALDH1A1SIRT1HPGDCHRNA7ACHE
SCHEMBL6275800 0.72 TRIM24 (0.36) TRIM24TRIM33ALDH1A1PIM1PIM3
SCHEMBL14584257 0.70 BRD3 (0.57) SIRT1HPGDPOLBCHRNA7BRD3
SCHEMBL29732162 0.70 PIM1 (0.50) TRIM24TRIM33ALDH1A1PIM1PIM3
SCHEMBL28468883 0.70 PIM1 (0.50) TRIM24TRIM33ALDH1A1PIM1PIM3
SCHEMBL2562962 0.70 MAPT (0.60) TRIM24TRIM33ALDH1A1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 EP claimed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 EP claimed
WO-2002042304-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH (US) 2002-05-30 WO claimed
US-20020055504-A1 Process for the preparation of 1,2,3,4,8,9,10,10a-octahydro-7bH-cyclopenta [b] [1,4] diazepino- [6,7,1-hi] indole derivatives WYETH 2002-05-09 US claimed
US-6916922-B2 Process for the preparation of 1,2,3,4,8,9,10,10a-octahydro-7bH-cyclopenta [B] [1,4] diazepino- [6,7,1-hi] indole derivatives WYETH (US) 2005-07-12 US disclosed
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 EP disclosed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 EP disclosed
WO-2002042304-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH (US) 2002-05-30 WO disclosed
US-20020055504-A1 Process for the preparation of 1,2,3,4,8,9,10,10a-octahydro-7bH-cyclopenta [b] [1,4] diazepino- [6,7,1-hi] indole derivatives WYETH 2002-05-09 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-20020055504-A1 Process for the preparation of 1,2,3,4,8,9,10,10a-octahydro-7bH-cyclopenta [b] [1,4] diazepino- [6,7,1-hi] indole derivatives CYP8B1, HTR2B, HTR1A TRIM24 2953/4885TRIM33 4349/4885ALDH1A1 209/4885

“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.