SCHEMBL6038286

SCHEMBL6038286

CC1CNCCc2[nH]c3ccc(S(=O)(=O)c4ccc(F)cc4)cc3c21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
HTR2B P41595 1/20 0.46
HTR6 P50406 14/20 0.44
HTR2A P28223 1/20 0.40
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL6038287 0.92 HTR6 (0.45) HTR2CHTR2BHTR6HTR2A
SCHEMBL6038251 0.90 HTR6 (0.53) HTR2CHTR2BHTR6
SCHEMBL6038284 0.83 HTR2C (0.50) HTR2CHTR2BHTR6HTR2AMAPKAPK2
SCHEMBL6038307 0.79 HTR2C (0.56) HTR2CHTR2BHTR6HTR2ATP53
SCHEMBL6038306 0.76 HTR6 (0.54) HTR2CHTR2BHTR6TP53MAPT
SCHEMBL6038262 0.76 HTR6 (0.57) HTR2CHTR2BHTR6
SCHEMBL6038243 0.76 HTR6 (0.48) HTR2CHTR2BHTR6HTR2AMAPKAPK2
SCHEMBL6038254 0.74 HTR6 (0.48) HTR2CHTR2BHTR6HTR2ATP53
SCHEMBL6038246 0.73 HTR6 (0.52) HTR2CHTR2BHTR6HTR2A
SCHEMBL6038343 0.72 HTR6 (0.49) HTR2CHTR2BHTR6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 HTR2C 6/4885HTR2B 5/4885HTR6 16/4885
US-20040248880-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-B]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR2C 21/4885HTR2B 10/4885HTR6 19/4885
US-20040054170-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR2C 21/4885HTR2B 10/4885HTR6 19/4885
US-20020156275-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR2C 6/4885HTR2B 5/4885HTR6 16/4885
US-20020128475-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR2C 7/4885HTR2B 5/4885HTR6 17/4885

“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.