SCHEMBL6166554

SCHEMBL6166554

CN(C)Cc1cn(S(=O)(=O)c2ccc3c(c2)CCNCC3)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.63
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HTR2C P28335 7/20 0.50
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1F P30939 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 6/20 0.47
CYP3A4 P08684 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL6335588 0.94 HTR6 (0.60) HTR6HDAC1HDAC2HDAC6HTR2C
SCHEMBL6330560 0.82 HTR6 (0.58) HTR6HDAC1HDAC2HDAC6HTR1A
SCHEMBL6336170 0.78 PNMT (0.50) HTR6HTR2CHTR2BCYP3A4HTR2A
SCHEMBL1171841 0.78 HTR6 (1.00) HTR6HDAC1HDAC2HDAC6HTR1A
SCHEMBL3248158 0.76 HTR6 (1.00) HTR6HDAC1HDAC2HDAC6HTR1A
SCHEMBL6330390 0.76 HTR6 (0.65) HTR6HTR2CHTR2BCYP3A4HTR2A
SCHEMBL6166337 0.76 HTR2C (0.59) HTR6HTR2CHTR2B
SCHEMBL6332174 0.73 HTR6 (0.41) HTR6HTR2CDRD2DRD3HTR2A
SCHEMBL6330346 0.72 HTR6 (0.58) HTR6HTR1ADRD2HTR7HTR2A
SCHEMBL6167732 0.72 HTR6 (0.65) HTR6HTR2CHTR2BCYP3A4

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 1/4885HDAC1 3577/4885HDAC2 4000/4885

“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.