SCHEMBL6038429

SCHEMBL6038429

CN1CCc2[nH]c3ccc(S(=O)(=O)c4ccccc4)cc3c2CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.67
HTR1A P08908 2/20 0.51
HTR2C P28335 2/20 0.51
HTR7 P34969 2/20 0.51
DRD2 P14416 2/20 0.50
DRD1 P21728 2/20 0.50
DRD5 P21918 2/20 0.50
DRD3 P35462 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.48
CHRNA7 P36544 1/20 0.48
TP53 P04637 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47

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
SCHEMBL801275 0.92 HTR6 (0.80) HTR6HTR1AHTR2CHTR7CHRNA7
SCHEMBL6200573 0.86 HTR6 (0.57) HTR6MAPTTP53BAZ2B
SCHEMBL6038462 0.84 HTR6 (0.57) HTR6MAPTTP53
SCHEMBL6038224 0.83 HTR6 (0.54) HTR6HTR1ADRD2MAPTBAZ2B
SCHEMBL6038260 0.81 HTR6 (0.63) HTR6HTR2CMAPTTP53
SCHEMBL6196157 0.81 HTR6 (0.53) HTR6MAPTBAZ2B
SCHEMBL801076 0.81 HTR6 (1.00) HTR6HTR1AHTR2CHTR7MAPT
SCHEMBL801289 0.81 HTR6 (0.77) HTR6HTR1AHTR2CHTR7MAPT
SCHEMBL801112 0.80 HTR6 (0.77) HTR6HTR1AHTR2CHTR7KDM4E
SCHEMBL801464 0.79 HTR6 (1.00) HTR6HTR1AHTR2CHTR7KDM4E

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 11 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 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
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-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

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 16/4885HTR1A 9/4885HTR2C 6/4885
US-20040248880-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-B]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR6 19/4885HTR1A 2/4885HTR2C 21/4885
US-20040054170-A1 1,2,3,4,5,6-Hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position TPH1, HTR1A, HTR1D HTR6 19/4885HTR1A 2/4885HTR2C 21/4885
US-20020156275-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR6 16/4885HTR1A 9/4885HTR2C 6/4885
US-20020128475-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR6 17/4885HTR1A 8/4885HTR2C 7/4885

“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.