SCHEMBL4892208

SCHEMBL4892208

C1=NCCn2ccc3cccc1c32

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
NISCH Q9Y2I1 1/20 0.33
HTR3A P46098 4/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL19305561 0.69 PARP1 (0.50) PARP1NISCHHTR3A
SCHEMBL3125224 0.67 PARP1 (0.37) PARP1NISCH
SCHEMBL64500 0.64 PARP1 (0.45) PARP1HTR3AADRA2AADRA2BADRA2C
SCHEMBL11883118 0.63 ALKBH5 (0.38)
SCHEMBL31635833 0.63 PARP1 (0.34) PARP1NISCH
SCHEMBL17553824 0.62 PARP1 (0.40) PARP1NISCHHTR3A
SCHEMBL9124525 0.62
SCHEMBL1395813 0.62 MCL1 (0.44) PARP1HTR3A
SCHEMBL30955312 0.62 MCL1 (0.44) PARP1HTR3A
SCHEMBL17262015 0.61 PARP1 (0.41) PARP1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351839-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) 2008-04-01 US disclosed
US-20080009480-A1 CYCLOPENTA[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2008-01-10 US disclosed
US-7271163-B2 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives WYETH (US) 2007-09-18 US disclosed
US-20070066676-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 (US) 2007-03-22 US disclosed
US-7141563-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) 2006-11-28 US disclosed
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
US-20050004101-A1 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives WYETH (US) 2005-01-06 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-6777407-B2 7BH-CYCLOPENTA(B)(1,4)DIAZEPINO(6, 7, 1-HI)INDOLE OR A SALT, USEFUL FOR TREATMENT OF SCHIZOPHRENIA, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, ANXIETY, PANIC DISORDER, OBESITY OR EPILEPSY WYETH 2004-08-17 US disclosed
EP-1330457-A2 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS Wyeth (US) 2003-07-30 EP disclosed
US-20020107242-A1 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-08-08 US disclosed
US-6414144-B1 SUCH AS (2S)-(REL-7BR,10AR)-2-METHYL-1,2,3,4,8,9,10,10A-OCTAHYDRO-7BH -CYCLOPENTA(B)(1,4)DIAZEPINO(6,7,1-HI)INDOLE; FOR TREATMENT OF OBESITY WYETH 2002-07-02 US 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-20020058689-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 AMERICAN HOME PRODUCTS CORPORATION (US) 2002-05-16 US disclosed
US-20020055630-A1 Such as (2S)-(rel-7bR,10aR)-2-Methyl-1,2,3,4,8,9,10,10a-octahydro-7bH -Cyclopenta(b)(1,4)Diazepino(6,7,1-hi)indole; for treatment of obesity AMERICAN HOME PRODUCTS CORPORATION 2002-05-09 US 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 (7 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-20020107242-A1 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives CNR1, HCRTR1, HTR3C PARP1 1209/4885NISCH 1048/4885HTR3A 13/4885
US-20020058689-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 HRH3, HTR1A, HTR7 PARP1 730/4885NISCH 158/4885HTR3A 22/4885
US-20070066676-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 HRH4, HRH3, AHR PARP1 2107/4885NISCH 121/4885HTR3A 11/4885
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 PARP1 1285/4885NISCH 204/4885HTR3A 11/4885
US-20050004101-A1 Cyclopenta[b][1,4]diazepino[6,7,1-hi]indoles and derivatives CNR1, HCRTR1, HTR3C PARP1 1515/4885NISCH 751/4885HTR3A 14/4885
US-20020055630-A1 Such as (2S)-(rel-7bR,10aR)-2-Methyl-1,2,3,4,8,9,10,10a-octahydro-7bH -Cyclopenta(b)(1,4)Diazepino(6,7,1-hi)indole; for treatment of obesity REL, HTR3B, HTR1B PARP1 2130/4885NISCH 848/4885HTR3A 11/4885
US-20080009480-A1 CYCLOPENTA[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES CNR1, HCRTR1, HTR3C PARP1 1515/4885NISCH 751/4885HTR3A 14/4885

“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.