SCHEMBL6483000

SCHEMBL6483000

FC(F)(F)Oc1ccccc1-c1cccc2[nH]c3c(c12)CCNCC3

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
TAAR1 Q96RJ0 1/20 0.41
HTR2B P41595 1/20 0.38
PLAT P00750 1/20 0.37
TRPA1 O75762 1/20 0.37
PARP1 P09874 6/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR5A P47898 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 2/20 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
SCHEMBL7227445 0.84 HTR2C (0.49) HTR2CHTR2ATAAR1PARP1KDM4E
Hydrochloric Acid SCHEMBL6473408 0.82 HTR2C (0.48) HTR2CHTR2ATAAR1PARP1
SCHEMBL6475897 0.81 HTR2A (0.47) HTR2CHTR2ATAAR1PARP1KDM4E
SCHEMBL6474357 0.81 HTR2A (0.49) HTR2CHTR2ATAAR1PARP1KDM4E
Hydrochloric Acid SCHEMBL6481677 0.81 HTR2C (0.46) HTR2CHTR2ATAAR1HTR2BPARP1
SCHEMBL6938987 0.81 HTR2A (0.46) HTR2CHTR2ATAAR1HTR2BPARP1
SCHEMBL6474795 0.80 HRH1 (0.46) HTR2CHTR2ATAAR1HTR2BPLAT
SCHEMBL6474954 0.80 HRH1 (0.46) HTR2CHTR2ATAAR1HTR2BPARP1
Hydrochloric Acid SCHEMBL6481729 0.80 HTR2A (0.45) HTR2CHTR2ATAAR1PARP1CYP2D6
SCHEMBL6475068 0.79 HTR2A (0.53) HTR2CHTR2ATAAR1PARP1KDM4E

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 HTR2C 5/4885HTR2A 11/4885TAAR1 38/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885TAAR1 48/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR2C 5/4885HTR2A 11/4885TAAR1 38/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885TAAR1 48/4885

“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.