SCHEMBL6482971

SCHEMBL6482971

Clc1ccc(Cl)c2c1c1c(n2CCOc2ccc3c(c2)CCCC3)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.52
HRH1 P35367 3/20 0.48
SLC2A1 P11166 1/20 0.43
TSHR P16473 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6480710 0.87 HRH3 (0.51) HRH3HRH1SLC2A1TSHRALOX15
SCHEMBL6481033 0.86 HRH3 (0.50) HRH3HRH1SLC2A1TSHRALOX15
SCHEMBL6481938 0.85 HRH3 (0.51) HRH3HRH1SLC2A1TSHRALOX15
SCHEMBL6484108 0.85 HRH3 (0.51) HRH3HRH1SLC2A1TSHRALOX15
SCHEMBL6481075 0.83 MAOB (0.46) HRH3TSHRCYP3A4ADRA2CHDAC1
SCHEMBL6784114 0.83 HDAC1 (0.42) HRH3HRH1TSHRCYP3A4HDAC1
Hydrochloric Acid SCHEMBL6475841 0.82 HDAC1 (0.42) HRH1TSHRALOX15CYP3A4HDAC1
SCHEMBL6482771 0.82 HRH3 (0.52) HRH3HRH1SLC2A1TSHRALOX15
SCHEMBL6475445 0.81 HRH3 (0.43) HRH3HDAC1HDAC6
SCHEMBL6482908 0.80 DRD3 (0.42) HRH3HRH1CYP3A4HDAC1HDAC6

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 8 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
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

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 HRH3 303/4885HRH1 213/4885SLC2A1 1905/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HRH3 260/4885HRH1 190/4885SLC2A1 1367/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HRH3 303/4885HRH1 213/4885SLC2A1 1905/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HRH3 260/4885HRH1 190/4885SLC2A1 1367/4885

“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.