SCHEMBL6475908

SCHEMBL6475908

O=C(O)N1CCc2c(n(CCCc3ccccc3)c3cc(Cl)c(Cl)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.52
SIGMAR1 Q99720 2/20 0.43
HRH1 P35367 4/20 0.41
HTR6 P50406 4/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
FABP4 P15090 1/20 0.40
EGFR P00533 1/20 0.39
IGF1R P08069 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
MEN1 O00255 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
SCHEMBL6482904 0.86 ENPP2 (0.47) ENPP2SIGMAR1HRH1HTR6ADRA2A
SCHEMBL6481415 0.83 BAZ2B (0.43) BAZ2BPTGDR2FABP4PTGER2PTGDR
SCHEMBL6481115 0.83 ENPP2 (0.48) ENPP2SIGMAR1HRH1HTR6ADRA2A
SCHEMBL6475974 0.82 KCNA5 (0.43) BAZ2BPTGDR2MEN1KMT2A
Hydrochloric Acid SCHEMBL6474575 0.79 KDM4E (0.42) ENPP2SIGMAR1HRH1HTR6ADRA2A
SCHEMBL6474656 0.78 PTGDR2 (0.48) BAZ2BPTGDR2PTGER2PTGDR
SCHEMBL6473923 0.77 BAZ2B (0.44) BAZ2BPTGDR2MEN1KMT2A
SCHEMBL6483398 0.76 HTR5A (0.43) HRH1HTR6BAZ2BPTGDR2
SCHEMBL6474663 0.73 AKR1B10 (0.46) BAZ2BPTGDR2
SCHEMBL7455317 0.72 AKR1B10 (0.46) BAZ2BPTGDR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 disclosed
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 disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US disclosed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6583135-B2 Treating central nervous system disorders wherein modulation of the activity of serotonin receptors (5-HT) is desired (e.g. anxiety, depression and obesity). PHARMACIA & UPJOHN COMPANY 2003-06-24 US disclosed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 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 (4 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E ENPP2 911/4885SIGMAR1 80/4885HRH1 213/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 ENPP2 948/4885SIGMAR1 73/4885HRH1 190/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E ENPP2 911/4885SIGMAR1 80/4885HRH1 213/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 ENPP2 948/4885SIGMAR1 73/4885HRH1 190/4885

“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.