SCHEMBL6482914

SCHEMBL6482914

CC(C)(C)OC(=O)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 2/20 0.59
CHEK1 O14757 1/20 0.47
ABL1 P00519 1/20 0.47
MET P08581 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
LTK P29376 1/20 0.47
MAPK8 P45983 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3B P49841 1/20 0.47
CDK9 P50750 1/20 0.47
NEK2 P51955 1/20 0.47
ACVR1 Q04771 1/20 0.47
MAP4K2 Q12851 1/20 0.47
PRKAA1 Q13131 1/20 0.47
MAPK14 Q16539 1/20 0.47
CAMK1D Q8IU85 1/20 0.47
AURKB Q96GD4 1/20 0.47
BAZ2B Q9UIF8 2/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL6475116 0.82 MEN1 (0.40) CGASBAZ2BMEN1KMT2AESR2
SCHEMBL6474299 0.82 CNR1 (0.42) CGASBAZ2BMEN1KMT2AESR2
SCHEMBL6483420 0.81 BAZ2B (0.45) BAZ2BMEN1KMT2AESR2KDM4E
SCHEMBL25846333 0.80 BAZ2B (0.42) CDK9BAZ2BMEN1KMT2AESR2
SCHEMBL30339675 0.80 BAZ2B (0.42) CDK9BAZ2BMEN1KMT2AESR2
SCHEMBL6479683 0.79 MEN1 (0.42) CGASMEN1KMT2AESR2STS
SCHEMBL31424848 0.76 ESR2 (0.40) BAZ2BMEN1KMT2AESR2STS
SCHEMBL17541089 0.75 MEN1 (0.39) CGASMEN1KMT2AESR2STS
SCHEMBL4791778 0.74 CGAS (0.45) CGASCHEK1ABL1METPIM1
SCHEMBL23423054 0.74 CGAS (1.00) CGASCHEK1ABL1METPIM1

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 12 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
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE 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
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE 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 CGAS 1578/4885CHEK1 3991/4885ABL1 591/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 CGAS 1850/4885CHEK1 4335/4885ABL1 554/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E CGAS 1578/4885CHEK1 3991/4885ABL1 591/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CGAS 1850/4885CHEK1 4335/4885ABL1 554/4885

“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.