SCHEMBL6484101

SCHEMBL6484101

Clc1cc(Cl)c2c(c1)c1c(n2CCOc2cccc3cccnc23)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
MAPT P10636 9/20 0.47
LMNA P02545 8/20 0.47
HPGD P15428 4/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6474312 0.87 RAB9A (0.46) KDM4EMAPTLMNAHPGDHTT
SCHEMBL6474192 0.87 NR3C1 (0.40) MAPTLMNACYP3A4HTR6
SCHEMBL6475434 0.86 KDM4E (0.48) KDM4EMAPTLMNAHPGDHTT
SCHEMBL6481204 0.86 RAB9A (0.44) KDM4EMAPTLMNAHPGDHTT
SCHEMBL6475910 0.85 KCNA3 (0.41) KDM4EMAPTHTTSMN1; SMN2MEN1
SCHEMBL6482091 0.85 RAB9A (0.45) KDM4EMAPTLMNAHPGDHTT
SCHEMBL6482883 0.83 KDM4E (0.39) KDM4EMAPTLMNAHPGDHTT
SCHEMBL6474621 0.83 DRD3 (0.42) CYP3A4HTR6
SCHEMBL6474829 0.81 HRH3 (0.41) CYP3A4HTR6
SCHEMBL6526636 0.80 RAB9A (0.44) KDM4EMAPTLMNAHPGDHTT

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 KDM4E 1122/4885MAPT 2666/4885LMNA 4162/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885MAPT 2537/4885LMNA 4136/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885MAPT 2666/4885LMNA 4162/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885MAPT 2537/4885LMNA 4136/4885

“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.