SCHEMBL6480665

SCHEMBL6480665

CCOC(=O)Cn1c2c(c3ccccc31)CCN(C(=O)O)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
LMNA P02545 1/20 0.60
PTGDR2 Q9Y5Y4 8/20 0.56
CYP2C9 P11712 3/20 0.52
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PTGER2 P43116 2/20 0.48
PTGDR Q13258 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
AKR1B10 O60218 1/20 0.48

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
SCHEMBL29224005 0.92 PTGDR2 (0.64) KDM4ELMNAPTGDR2CYP2C9RAB9A
SCHEMBL6474866 0.86 KDM4E (0.55) KDM4ELMNAPTGDR2CYP2C9HSD17B10
SCHEMBL6937964 0.85 PTGDR2 (0.55) KDM4ELMNAPTGDR2CYP2C9HSD17B10
SCHEMBL6483292 0.84 PTGDR2 (0.58) KDM4EPTGDR2CYP2C9HSD17B10MEN1
SCHEMBL14067778 0.83 KDM4E (0.61) KDM4ELMNAPTGDR2ALDH1A1TSHR
SCHEMBL6474663 0.82 AKR1B10 (0.46) KDM4ELMNAPTGDR2HSD17B10RAB9A
SCHEMBL6480721 0.82 PTGDR2 (0.58) KDM4EPTGDR2CYP2C9HSD17B10MEN1
SCHEMBL7455317 0.81 AKR1B10 (0.46) KDM4ELMNAPTGDR2HSD17B10RAB9A
SCHEMBL7073355 0.81 KDM4E (0.50) KDM4ELMNAPTGDR2CYP2C9HSD17B10
SCHEMBL14067841 0.81 HDAC1 (0.61) KDM4ELMNAPTGDR2CYP2C9RAB9A

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 1122/4885LMNA 4162/4885PTGDR2 234/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885LMNA 4136/4885PTGDR2 363/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E KDM4E 1122/4885LMNA 4162/4885PTGDR2 234/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM4E 927/4885LMNA 4136/4885PTGDR2 363/4885

“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.