SCHEMBL6475381

SCHEMBL6475381

Clc1ccc2c3c(n(CCOc4c(Br)cc(Br)c5cccnc45)c2c1Cl)CCNCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
MAPT P10636 7/20 0.39
HTT P42858 7/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 3/20 0.38
NPSR1 Q6W5P4 7/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 4/20 0.33
ALOX15 P16050 3/20 0.33
TP53 P04637 3/20 0.33
HSP90AA1 P07900 3/20 0.33

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
SCHEMBL6474805 0.89 KDM4E (0.39) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL6482883 0.89 KDM4E (0.39) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL6474216 0.88 KDM4E (0.38) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL6474321 0.86 KDM4E (0.39) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL6474301 0.83 KDM4E (0.40) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL6474312 0.82 RAB9A (0.46) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL6481706 0.79 HTR1A (0.41) HDAC1HDAC6HTR2AHTR2CHIF1A
SCHEMBL6474563 0.77 DRD3 (0.45) HDAC1HDAC6
SCHEMBL6786421 0.77 HDAC1 (0.44) KDM4EALDH1A1HDAC1HDAC6ALOX15
Hydrochloric Acid SCHEMBL6484154 0.76 HDAC1 (0.43) KDM4EALDH1A1HDAC1HDAC6ALOX15

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-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE 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

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 KDM4E 1122/4885MAPT 2666/4885HTT 566/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885MAPT 2537/4885HTT 430/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885MAPT 2666/4885HTT 566/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885MAPT 2537/4885HTT 430/4885

“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.