SCHEMBL6474985

SCHEMBL6474985

CC(C)(C)OC(=O)N1CCc2c(n(CCOc3ccccc3)c3c(Cl)cc(Cl)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KCNA5 P22460 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
PTGDR Q13258 2/20 0.37
P4HB P07237 1/20 0.37
EPHX2 P34913 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
PTGER2 P43116 1/20 0.36
RORC P51449 1/20 0.36
PDE4B Q07343 1/20 0.36
CSF1R P07333 1/20 0.36
KDR P35968 1/20 0.36
STS P08842 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35

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
SCHEMBL6484835 0.88 KCNA5 (0.41) HDAC1HDAC6MEN1KMT2AKCNA5
SCHEMBL6474861 0.88 HDAC1 (0.41) HDAC1HDAC6MEN1KMT2AKCNA5
SCHEMBL6932621 0.87 KCNA5 (0.41) HDAC1HDAC6MEN1KMT2AKCNA5
SCHEMBL6474171 0.87 HDAC1 (0.41) HDAC1HDAC6MEN1KMT2AKCNA5
SCHEMBL6932620 0.86 KCNA5 (0.40) HDAC1HDAC6MEN1KMT2AKCNA5
SCHEMBL6474824 0.86 HDAC1 (0.43) HDAC1HDAC6KCNA5P4HBEPHX2
SCHEMBL6473368 0.85 HDAC1 (0.40) HDAC1HDAC6MEN1KMT2AKCNA5
SCHEMBL6480915 0.81 HDAC1 (0.51) HDAC1HDAC6MEN1KMT2AKCNA5
SCHEMBL6482902 0.80 HDAC1 (0.41) HDAC1HDAC6MEN1KMT2AKCNA5
SCHEMBL6484129 0.80 BAZ2B (0.40) HDAC1HDAC6MEN1KMT2AGPR119

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-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-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 HDAC1 2029/4885HDAC6 2272/4885MEN1 852/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HDAC1 2371/4885HDAC6 2415/4885MEN1 959/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HDAC1 2029/4885HDAC6 2272/4885MEN1 852/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HDAC1 2371/4885HDAC6 2415/4885MEN1 959/4885

“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.