SCHEMBL68267

SCHEMBL68267

[CH2]CCOc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 0.67
KCNA3 P22001 1/20 0.62
HTR1D P28221 3/20 0.61
SLC6A4 P31645 2/20 0.59
HRH1 P35367 1/20 0.59
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
NR2E1 Q9Y466 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL97164 0.90 HTR1B (0.68) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL7633057 0.89 KCNA3 (0.69) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL5289923 0.87 HTR1B (0.77) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL8778496 0.87 KCNA3 (0.67) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL95124 0.87 KCNA3 (0.67) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL1534891 0.87 KCNA3 (0.67) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL2177350 0.85 HTR1B (0.78) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL9770352 0.85 KCNA3 (0.81) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL16902840 0.83 KCNA3 (0.79) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL16902854 0.83 KCNA3 (0.79) HTR1BKCNA3HTR1DSLC6A4HRH1

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

Appears in 5119 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US claimed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
EP-0319986-B1 Anti-plasmin depressant NIPPON SHINYAKU CO LTD (JP) 1997-03-12 EP claimed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
JP-59216847-A None JP disclosed
JP-S59216847-A POLYETHER DERIVATIVE USEFUL AS IONOPHORE AGENCY OF IND SCIENCE & TECHNOL 1984-12-06 JP disclosed
JP-S59163343-A POLYETHER DERIVATIVE USEFUL AS IONOPHORE AGENCY OF IND SCIENCE & TECHNOL 1984-09-14 JP disclosed