SCHEMBL6283464

SCHEMBL6283464

CC1CCc2c1[nH]c1c(Br)cccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.50
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PNMT P11086 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
SLC6A4 P31645 1/20 0.35
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CTSK P43235 1/20 0.33
PDE7A Q13946 1/20 0.33
OPRD1 P41143 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6280972 0.78 TRIM24 (0.35) ALDH1A1POLBMAPTHPGDPIM1
SCHEMBL6275658 0.78 ALDH1A1 (0.37) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4156109 0.76 HSD17B10 (0.50) NISCHKDM4EHSD17B10PNMTCCNB2
SCHEMBL16433481 0.76 KDM4E (0.47) NISCHKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL6277821 0.75 NISCH (0.47) NISCHKDM4EHSD17B10CCNB2CDK1
SCHEMBL6275346 0.75 HPGD (0.33) NISCHKDM4EALDH1A1HPGDSIRT1
SCHEMBL14584257 0.73 BRD3 (0.57) POLBHPGDSIRT1CHRNA7
SCHEMBL31174542 0.73 NISCH (0.51) NISCHKDM4EHSD17B10CCNB2CDK1
SCHEMBL6275402 0.72 P2RX7 (0.36) KDM4EALDH1A1SIRT1
SCHEMBL4152218 0.72 DHODH (0.60) NISCHKDM4EHSD17B10CCNB2CDK1

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 7 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
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 NISCH 204/4885KDM4E 1739/4885HSD17B10 260/4885

“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.