SCHEMBL6474615

SCHEMBL6474615

CC(C)(C)c1cccc(NC(=O)Cn2c3c(c4c(Cl)ccc(Cl)c42)CCNCC3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
P2RX1 P51575 1/20 0.37
AKT1 P31749 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 5/20 0.35
TP53 P04637 3/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TRPV4 Q9HBA0 2/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL6482359 0.88 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3P2RX1AKT1
SCHEMBL6474770 0.88 KCNJ6 (0.46) KCNJ6KCNJ5KCNJ3P2RX1AKT1
SCHEMBL6475828 0.87 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3P2RX1AKT1
SCHEMBL6480962 0.86 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3P2RX1AKT1
SCHEMBL6474713 0.86 HPGD (0.47) HDAC3HDAC8HDAC6MAPTLMNA
SCHEMBL6473484 0.85 NOD1 (0.39) AKT1MAPTTP53LMNAALDH1A1
SCHEMBL6475551 0.84 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3P2RX1AKT1
SCHEMBL6473907 0.79 KMT2A (0.42) MAPTTP53LMNAALDH1A1TSHR
SCHEMBL6484813 0.77 ALDH1A1 (0.46) MAPTLMNAALDH1A1TSHRPOLB
SCHEMBL6484348 0.76 ALDH1A1 (0.46) MAPTLMNAALDH1A1TSHRPOLB

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 12 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
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-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO 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 KCNJ6 460/4885KCNJ5 347/4885KCNJ3 529/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KCNJ6 501/4885KCNJ5 316/4885KCNJ3 553/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KCNJ6 460/4885KCNJ5 347/4885KCNJ3 529/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KCNJ6 501/4885KCNJ5 316/4885KCNJ3 553/4885

“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.