SCHEMBL6474663

SCHEMBL6474663

CCOC(=O)Cn1c2c(c3cc(Cl)c(Cl)cc31)CCN(C(=O)O)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
BAZ2B Q9UIF8 3/20 0.43
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL7455317 0.99 AKR1B10 (0.46) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A
SCHEMBL7455305 0.98 AKR1B10 (0.45) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A
SCHEMBL6482320 0.87 AKR1B10 (0.43) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A
SCHEMBL6480861 0.83 LMNA (0.41) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A
SCHEMBL6474108 0.83 PTGDR2 (0.42) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A
SCHEMBL6480665 0.82 KDM4E (0.60) AKR1B10AKR1B1LMNAKDM4EHSD17B10
SCHEMBL6789800 0.82 PTGDR2 (0.41) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A
SCHEMBL6484682 0.82 AKR1B10 (0.43) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A
SCHEMBL6789796 0.81 PTGDR2 (0.41) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A
SCHEMBL6474647 0.81 LMNA (0.41) AKR1B10AKR1B1LMNAKDM4EAPOBEC3A

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 9 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-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 (3 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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 AKR1B10 1812/4885AKR1B1 1077/4885LMNA 4136/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E AKR1B10 1906/4885AKR1B1 1163/4885LMNA 4162/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 AKR1B10 1812/4885AKR1B1 1077/4885LMNA 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.