Sugi Predict

Sugi Predict / Compounds / SCHEMBL6196403

SCHEMBL6196403

SCHEMBL6196403

CC(C)N1CCc2c(n(C)c3ccc(S(=O)(=O)c4ccc(F)cc4)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 14/20 0.57
▸ MCHR1 Q99705 1/20 0.42
▸ HTR5A P47898 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL6038265 0.81 HTR6 (0.54) HTR6MCHR1
Hydrochloric Acid SCHEMBL6221796 0.81 HTR6 (0.55) HTR6MCHR1
SCHEMBL6038266 0.79 HTR6 (0.84) HTR6
SCHEMBL6038336 0.76 HTR6 (0.58) HTR6
SCHEMBL6038478 0.76 HTR6 (0.58) HTR6
SCHEMBL801394 0.74 HTR6 (0.79) HTR6
SCHEMBL6197906 0.74 HTR6 (0.54) HTR6MCHR1
SCHEMBL801073 0.73 HTR6 (1.00) HTR6
Hydrochloric Acid SCHEMBL6201411 0.73 HTR6 (0.53) HTR6MCHR1
SCHEMBL6038325 0.73 HTR6 (0.66) HTR6PTGDR2

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 HTR6 16/4885MCHR1 416/4885HTR5A 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 16/4885MCHR1 416/4885HTR5A 21/4885
US-20020128475-A1 1,2,3,4,5,6-hexahydroazepino[4,5-b]indoles containing arylsulfones at the 9-position HTR4, HTR3C, HTR3B HTR6 17/4885MCHR1 377/4885HTR5A 18/4885

“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.