SCHEMBL6483398

SCHEMBL6483398

O=C(O)N1CCc2c(n(CCOc3ccc(F)cc3)c3cc(Cl)c(Cl)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
BAZ2B Q9UIF8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.37
KCNA5 P22460 1/20 0.36
HRH1 P35367 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL6473923 0.92 BAZ2B (0.44) HTR5ACYP3A4KDM4EPOLBPTGDR2
SCHEMBL6475974 0.91 KCNA5 (0.43) HTR5AKDM4EPOLBPTGDR2BAZ2B
SCHEMBL6474568 0.87 HTR5A (0.42) HTR5ACYP3A4
SCHEMBL6482830 0.84 HTR5A (0.40) HTR5ACYP3A4KDM4EPOLBPTGDR2
SCHEMBL6481415 0.80 BAZ2B (0.43) KDM4EPTGDR2BAZ2BALDH1A1
Hydrochloric Acid SCHEMBL6473781 0.80 CYP3A4 (0.57) HTR5ACYP3A4LTA4HHTR6
SCHEMBL6474824 0.79 HDAC1 (0.43) HTR5ABAZ2BKCNA5
SCHEMBL6484129 0.79 BAZ2B (0.40) CYP3A4BAZ2BALDH1A1HRH1
SCHEMBL6475174 0.79 HTR5A (0.50) HTR5AKDM4EPTGDR2BAZ2BALDH1A1
SCHEMBL6483019 0.76 KCNA5 (0.42) HTR5AKDM4EPOLBBAZ2BALDH1A1

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 HTR5A 1/4885CYP3A4 286/4885KDM4E 1122/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR5A 1/4885CYP3A4 268/4885KDM4E 927/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR5A 1/4885CYP3A4 286/4885KDM4E 1122/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR5A 1/4885CYP3A4 268/4885KDM4E 927/4885

“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.