SCHEMBL6038268

SCHEMBL6038268

Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)CCNCC2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.67
HTR2C P28335 2/20 0.59
HTR2A P28223 1/20 0.59
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HTR2B P41595 1/20 0.51
CYP3A4 P08684 1/20 0.50

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
Hydrochloric Acid SCHEMBL6038270 0.99 HTR6 (0.68) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL10080981 0.92 HTR6 (0.66) HTR6HTR2CHTR2A
SCHEMBL6038265 0.89 HTR6 (0.54) HTR6HTR2CHTR2AKDM4EALOX15
Hydrochloric Acid SCHEMBL6221796 0.88 HTR6 (0.55) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL6200394 0.86 HTR6 (0.56) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL6197906 0.86 HTR6 (0.54) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL6038297 0.85 HTR6 (0.56) HTR6HTR2CHTR2BCYP3A4
Hydrochloric Acid SCHEMBL6201411 0.85 HTR6 (0.53) HTR6HTR2CHTR2AKDM4EALOX15
SCHEMBL6038266 0.84 HTR6 (0.84) HTR6
SCHEMBL6038285 0.84 HTR6 (0.59) HTR6

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 32 patents — showing the first 20. 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 claimed
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-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 claimed
WO-2004096809-A1 1,2,3,4,5,6-HEXAHYDROAZEPINO[4,5-B]INDOLES CONTAINING ARYLSULFONES AT THE 9-POSITION PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-11 WO claimed
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 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-6468999-B1 TREATING ANXIETY, DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS IN HUMANS AND ANIMALS PHARMACIA & UPJOHN COMPANY 2002-10-22 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
EP-1351961-B1 SUBSTITUTED INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2005-07-27 EP 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
WO-2002060903-A1 SUBSTITUTED INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-08-08 WO disclosed
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-06-06 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 (6 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 16/4885HTR2C 6/4885HTR2A 33/4885
US-20040248880-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-B]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR6 19/4885HTR2C 21/4885HTR2A 44/4885
US-20040054170-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR6 19/4885HTR2C 21/4885HTR2A 44/4885
US-20020156275-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR6 16/4885HTR2C 6/4885HTR2A 33/4885
US-20020128475-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR6 17/4885HTR2C 7/4885HTR2A 31/4885
US-20020068732-A1 Pharmaceutical combination formulation and method of treatment with the combination HTR6, HTR5A, HTR2C HTR6 1/4885HTR2C 3/4885HTR2A 6/4885

“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.