Sugi Predict

Sugi Predict / Compounds / SCHEMBL6038307

SCHEMBL6038307

SCHEMBL6038307

O=S(=O)(c1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCNCC3

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ MAPT P10636 7/20 0.54
▸ TP53 P04637 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ POLB P06746 1/20 0.53
▸ HTR6 P50406 9/20 0.52
▸ HTR2A P28223 1/20 0.48
▸ THRB P10828 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL6200362 0.91 HTR6 (0.54) HTR2CHTR2BMAPTTP53LMNA
SCHEMBL6195627 0.89 HTR6 (0.66) HTR2CHTR2BMAPTTP53LMNA
SCHEMBL6198430 0.89 MAPT (0.49) HTR2CHTR2BMAPTTP53LMNA
SCHEMBL6038260 0.88 HTR6 (0.63) HTR2CHTR2BMAPTTP53LMNA
SCHEMBL6199474 0.87 MAPT (0.55) HTR2CMAPTTP53LMNAHTR6
SCHEMBL6198428 0.86 MCHR1 (0.48) HTR2CHTR2BMAPTTP53LMNA
Hydrochloric Acid SCHEMBL6725708 0.85 MCHR1 (0.48) HTR2CHTR2BMAPTTP53LMNA
SCHEMBL6195607 0.84 LMNA (0.58) HTR2CMAPTTP53LMNAPOLB
SCHEMBL6038254 0.82 HTR6 (0.48) HTR2CHTR2BMAPTTP53LMNA
SCHEMBL6038306 0.82 HTR6 (0.54) HTR2CHTR2BMAPTTP53LMNA

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 17 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-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-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
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
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 5/4885MAPT 4204/4885
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 10/4885MAPT 4660/4885
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 10/4885MAPT 4660/4885
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 5/4885MAPT 4204/4885
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 5/4885MAPT 4344/4885

“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.