SCHEMBL6166953

SCHEMBL6166953

O=S(=O)(c1ccc2c(c1)CCNCC2)n1ccc2cc(F)c(F)cc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.63
CYP3A4 P08684 6/20 0.62
HTR2C P28335 10/20 0.52
HTR2B P41595 8/20 0.52
DRD3 P35462 1/20 0.45

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
SCHEMBL6332952 0.93 HTR6 (0.55) HTR6CYP3A4HTR2CHTR2B
SCHEMBL6167732 0.82 HTR6 (0.65) HTR6CYP3A4HTR2CHTR2B
Hydrochloric Acid SCHEMBL6330320 0.81 HTR6 (0.64) HTR6CYP3A4HTR2CHTR2B
SCHEMBL6166989 0.81 HTR6 (0.56) HTR6CYP3A4HTR2CHTR2B
SCHEMBL6166779 0.81 HTR2C (0.51) HTR6CYP3A4HTR2CHTR2B
SCHEMBL6332908 0.80 HTR6 (0.64) HTR6CYP3A4HTR2CHTR2B
SCHEMBL6338171 0.80 HTR6 (0.54) HTR6CYP3A4HTR2CHTR2B
SCHEMBL6328762 0.76 HTR6 (0.62) HTR6CYP3A4
SCHEMBL6336766 0.75 HTR6 (0.63) HTR6CYP3A4
SCHEMBL6336148 0.75 HTR6 (0.63) HTR6CYP3A4

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
EP-1392316-B1 BENZO[D]AZEPINE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM PLC (GB) 2005-04-20 EP claimed
US-20040192671-A1 Benzo[d]azepine derivatives as 5-ht6 receptor anatagonists SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-30 US claimed
EP-1392316-A1 BENZO[D]AZEPINE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP claimed
WO-2002089811-A1 BENZO[D]AZEPINE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO claimed
EP-1392316-B1 BENZO[D]AZEPINE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM PLC (GB) 2005-04-20 EP 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 (1 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-20040192671-A1 Benzo[d]azepine derivatives as 5-ht6 receptor anatagonists HTR6, HTR5A, HTR1A HTR6 1/4885CYP3A4 331/4885HTR2C 7/4885

“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.