SCHEMBL6938987

SCHEMBL6938987

CCOc1ccccc1-c1cccc2[nH]c3c(c12)CCNCC3

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE5A O76074 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
PARP1 P09874 4/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
HTR2B P41595 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
Hydrochloric Acid SCHEMBL6481729 0.99 HTR2A (0.45) HTR2AHTR2CRAD52KMT2APDE5A
SCHEMBL6474326 0.91 HTR2A (0.44) HTR2AHTR2CRAD52KMT2APDE5A
SCHEMBL6481023 0.90 PDE5A (0.43) HTR2AHTR2CRAD52KMT2APDE5A
SCHEMBL6481739 0.89 PDE5A (0.44) HTR2AHTR2CRAD52KMT2APDE5A
SCHEMBL6482965 0.88 PDE5A (0.45) HTR2AHTR2CKMT2APDE5ATAAR1
SCHEMBL7227445 0.86 HTR2C (0.49) HTR2AHTR2CKMT2ATAAR1PARP1
Hydrochloric Acid SCHEMBL6473408 0.85 HTR2C (0.48) HTR2AHTR2CTAAR1PARP1
SCHEMBL6476114 0.85 PDE5A (0.45) HTR2AHTR2CPDE5ATAAR1PARP1
SCHEMBL6475897 0.84 HTR2A (0.47) HTR2AHTR2CTAAR1PARP1JAK2
SCHEMBL6483000 0.81 HTR2C (0.46) HTR2AHTR2CTAAR1PARP1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
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 claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed

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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR2A 11/4885HTR2C 5/4885RAD52 4384/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HTR2A 11/4885HTR2C 5/4885RAD52 4384/4885

“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.