SCHEMBL6474170

SCHEMBL6474170

O=C(O)N1CCc2c(n(CCO)c3c(Cl)cc(Cl)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.41
PTGDR Q13258 4/20 0.41
BAZ2B Q9UIF8 5/20 0.40
CGAS Q8N884 1/20 0.38
PTGER2 P43116 2/20 0.38
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6484835 0.83 KCNA5 (0.41) PTGDR2PTGDRBAZ2BPTGER2HDAC1
SCHEMBL6932621 0.82 KCNA5 (0.41) PTGDR2PTGDRBAZ2BPTGER2HDAC1
SCHEMBL6932620 0.81 KCNA5 (0.40) PTGDR2PTGDRBAZ2BPTGER2HDAC1
SCHEMBL6475384 0.81 PTGDR2 (0.40) PTGDR2PTGDRBAZ2BPTGER2
SCHEMBL6481210 0.81 AKR1B10 (0.43) PTGDR2PTGDRBAZ2BCGASPTGER2
SCHEMBL6481415 0.81 BAZ2B (0.43) PTGDR2PTGDRBAZ2BPTGER2
SCHEMBL6474108 0.80 PTGDR2 (0.42) PTGDR2PTGDRBAZ2BCGASPTGER2
SCHEMBL6789800 0.79 PTGDR2 (0.41) PTGDR2PTGDRBAZ2BCGASPTGER2
SCHEMBL6789796 0.79 PTGDR2 (0.41) PTGDR2PTGDRBAZ2BCGASPTGER2
SCHEMBL6474834 0.78 PTGDR2 (0.39) PTGDR2PTGDRBAZ2BPTGER2

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 PTGDR2 234/4885PTGDR 89/4885BAZ2B 3100/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 PTGDR2 363/4885PTGDR 178/4885BAZ2B 3155/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E PTGDR2 234/4885PTGDR 89/4885BAZ2B 3100/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 PTGDR2 363/4885PTGDR 178/4885BAZ2B 3155/4885

“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.