SCHEMBL6196396

SCHEMBL6196396

COc1cccc(S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCNCC4)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.57
TP53 P04637 9/20 0.57
LMNA P02545 8/20 0.57
HTR6 P50406 6/20 0.56
THRB P10828 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
RECQL P46063 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.49
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR7 P34969 1/20 0.46
NISCH Q9Y2I1 1/20 0.46

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 SCHEMBL6220785 0.99 MAPT (0.56) MAPTTP53LMNAHTR6THRB
SCHEMBL6195607 0.90 LMNA (0.58) MAPTTP53LMNAHTR6THRB
SCHEMBL6038260 0.85 HTR6 (0.63) MAPTTP53LMNAHTR6
SCHEMBL6195627 0.83 HTR6 (0.66) MAPTTP53LMNAHTR6HTR7
SCHEMBL6199474 0.81 MAPT (0.55) MAPTTP53LMNAHTR6THRB
SCHEMBL2970063 0.80 HSD17B10 (0.81) MAPTLMNAHTR6THRBCYP1A2
SCHEMBL6038307 0.79 HTR2C (0.56) MAPTTP53LMNAHTR6THRB
SCHEMBL6200362 0.78 HTR6 (0.54) MAPTTP53LMNAHTR6POLB
SCHEMBL6198430 0.78 MAPT (0.49) MAPTTP53LMNAHTR6THRB
SCHEMBL6198428 0.76 MCHR1 (0.48) MAPTTP53LMNAHTR6POLB

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 8 patents. 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MAPT 4204/4885TP53 4882/4885LMNA 2724/4885
US-20020156275-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B MAPT 4204/4885TP53 4882/4885LMNA 2724/4885
US-20020128475-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B MAPT 4344/4885TP53 4882/4885LMNA 3391/4885

“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.