SCHEMBL6038325

SCHEMBL6038325

Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)CCN(C(=O)c1ccccc1)CC2

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.66
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.45
SFRP1 Q8N474 1/20 0.44
PTGS1 P23219 1/20 0.44
CNR1 P21554 2/20 0.43
KCNH2 Q12809 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43

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
SCHEMBL6038266 0.85 HTR6 (0.84) HTR6
SCHEMBL7107622 0.83 ALOX5 (0.55) PTGDR2PTGS1CNR1KCNH2BAZ2B
SCHEMBL7039653 0.81 PTGDR2 (0.64) HTR6HPGDPTGDR2PTGS1
SCHEMBL801073 0.80 HTR6 (1.00) HTR6
SCHEMBL6038268 0.78 HTR6 (0.67) HTR6
Hydrochloric Acid SCHEMBL6038270 0.77 HTR6 (0.68) HTR6PTGS1
SCHEMBL6038224 0.75 HTR6 (0.54) HTR6LMNAHPGDBAZ2B
SCHEMBL7040453 0.75 PTGDR2 (0.50) PTGDR2PTGS1CNR1BAZ2B
SCHEMBL10080981 0.74 HTR6 (0.66) HTR6PTGS1
SCHEMBL6336082 0.73 CYP2C9 (0.58) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030109-B2 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA & UPJOHN COMPANY (US) 2006-04-18 US disclosed
US-6921823-B2 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA & UPJOHN COMPANY LLC (US) 2005-07-26 US disclosed
EP-1196417-B8 1,2,3,4,5,6-HEXAHYDROAZEPINO 4,5-b]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION PHARMACIA & UPJOHN CO LLC (US) 2005-06-15 EP disclosed
EP-1196417-B1 1,2,3,4,5,6-HEXAHYDROAZEPINO 4,5-b]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION UPJOHN CO (US) 2005-04-20 EP disclosed
US-6878823-B2 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA & UPJOHN COMPANY (US) 2005-04-12 US disclosed
US-20040248880-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-B]indoles containing arylsulfones at the 9-position JACOBSEN ERIC JON (US) 2004-12-09 US disclosed
US-20040054170-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position JACOBSEN ERIC JON (US) 2004-03-18 US disclosed
US-20020156275-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA AND UPJOHN COMPANY 2002-10-24 US disclosed
US-6468999-B1 TREATING ANXIETY, DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS IN HUMANS AND ANIMALS PHARMACIA & UPJOHN COMPANY 2002-10-22 US disclosed
US-20020128475-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA & UPJOHN COMPANY 2002-09-12 US disclosed
US-20020111483-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position PHARMACIA & UPJOHN COMPANY 2002-08-15 US disclosed
EP-1196417-A1 1,2,3,4,5,6-HEXAHYDROAZEPINO 4,5-b]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION PHARMACIA & UPJOHN COMPANY (US) 2002-04-17 EP disclosed
WO-2001005793-A1 1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-b]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION PHARMACIA & UPJOHN COMPANY (US) 2001-01-25 WO 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 (5 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-20020111483-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR6 16/4885LMNA 2724/4885HPGD 4670/4885
US-20040248880-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-B]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR6 19/4885LMNA 3786/4885HPGD 3216/4885
US-20040054170-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR6 19/4885LMNA 3786/4885HPGD 3216/4885
US-20020156275-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR6 16/4885LMNA 2724/4885HPGD 4670/4885
US-20020128475-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR6 17/4885LMNA 3391/4885HPGD 4678/4885

“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.