SCHEMBL6480994

SCHEMBL6480994

[CH2]CCOc1ccc(I)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
SSTR4 P31391 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 3/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
S1PR4 O95977 1/20 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
SCHEMBL3917609 0.81 KDM4E (0.39) KDM4ESMN1; SMN2SSTR4L3MBTL1NPC1
SCHEMBL8300246 0.81 ESR1 (0.51) KDM4ESMN1; SMN2L3MBTL1MAPTESR1
SCHEMBL1021607 0.81 HPGD (0.40) KDM4ESMN1; SMN2SSTR4L3MBTL1NPC1
SCHEMBL4473487 0.81 KDM4E (0.40) KDM4ESMN1; SMN2SSTR4L3MBTL1NPC1
SCHEMBL7314937 0.81 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2L3MBTL1NPC1NFKB1
SCHEMBL26586908 0.80 KDM4E (0.38) KDM4ESMN1; SMN2SSTR4L3MBTL1NPC1
SCHEMBL1020226 0.79 ESR1 (0.46) KDM4ESMN1; SMN2SSTR4L3MBTL1NPC1
SCHEMBL27717344 0.78 KMT2A (0.50) KDM4ESMN1; SMN2RAB9AKMT2AHPGD
SCHEMBL24052663 0.77 ESR1 (0.44) KDM4ESMN1; SMN2SSTR4L3MBTL1ESR1
SCHEMBL28978922 0.74 KDM4E (0.42) KDM4ESMN1; SMN2SSTR4RAB9AKMT2A

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 22 patents — showing the first 20. 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 claimed
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 claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
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
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
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 KDM4E 1122/4885SMN1; SMN2 1296/4885SSTR4 82/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885SMN1; SMN2 1106/4885SSTR4 78/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885SMN1; SMN2 1296/4885SSTR4 82/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885SMN1; SMN2 1106/4885SSTR4 78/4885

“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.