SCHEMBL6897975

SCHEMBL6897975

CCOc1ccccc1-c1cccc2c1[C@@H]1CCNCCC1N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
HTR2A P28223 6/20 0.47
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR1A P08908 2/20 0.36
HTR2B P41595 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CACNA1F O60840 2/20 0.35
CACNA1D Q01668 2/20 0.35
KCNH2 Q12809 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
HRH1 P35367 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PTPRC P08575 1/20 0.34

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
SCHEMBL6896358 1.00 HTR2C (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL7073532 1.00 HTR2C (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6787979 1.00 HTR2C (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6787984 1.00 HTR2C (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL7195365 1.00 HTR2C (0.47) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL7522547 0.91 HTR2C (0.39) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL7519152 0.91 HTR2C (0.39) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6781199 0.91 HTR2C (0.39) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6780901 0.91 HTR2C (0.39) HTR2CHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6781196 0.91 HTR2C (0.39) HTR2CHTR2ASLC6A2SLC6A4SLC6A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO 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 disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE 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-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 (2 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 HTR2C 6/4885HTR2A 9/4885SLC6A2 104/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885HTR2A 9/4885SLC6A2 104/4885

“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.