SCHEMBL6481085

SCHEMBL6481085

Clc1cc(Cl)c2c3c(n(CCOc4cccc5ncccc45)c2c1)CCNCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.40
HTR1A P08908 10/20 0.40
SLC6A4 P31645 2/20 0.40
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
CYP3A4 P08684 2/20 0.37
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 1/20 0.34
HTR6 P50406 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
EIF4EBP1 Q13541 1/20 0.34

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
SCHEMBL6473899 0.89 HTR1A (0.40) NR3C1HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6475813 0.88 HTR1A (0.40) NR3C1HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6474192 0.87 NR3C1 (0.40) NR3C1HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6481462 0.86 HTR1A (0.40) NR3C1HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6475434 0.86 KDM4E (0.48) CYP3A4LMNAMAPTHTTKMT2A
SCHEMBL6483521 0.84 KCNA3 (0.41) HTR1ASLC6A4CYP3A4HTR6MAPT
SCHEMBL6474661 0.82 RHEB (0.41) HTR1ASLC6A4HTR1BCYP3A4MAPT
SCHEMBL6481706 0.81 HTR1A (0.41) NR3C1HTR1ASLC6A4HTR1DHTR1B
SCHEMBL6480826 0.81 DRD3 (0.42) HTR1ACYP3A4HTR6
SCHEMBL6484572 0.81 HRH3 (0.43) HTR1ASLC6A4CYP3A4HTR6

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 NR3C1 188/4885HTR1A 2/4885SLC6A4 24/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 NR3C1 214/4885HTR1A 2/4885SLC6A4 21/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E NR3C1 188/4885HTR1A 2/4885SLC6A4 24/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 NR3C1 214/4885HTR1A 2/4885SLC6A4 21/4885

“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.