SCHEMBL5458541

SCHEMBL5458541

CN1CCc2cc(N(C)C)c(S(=O)(=O)c3ccc(Cc4ccc(C#N)cc4F)cc3)cc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
KCNH2 Q12809 4/20 0.40
DRD2 P14416 4/20 0.38
HTR6 P50406 3/20 0.38
DRD3 P35462 2/20 0.38
RORC P51449 2/20 0.34
SLC6A9 P48067 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 3/20 0.32
KCNA5 P22460 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL5444657 0.89 HTR2A (0.38) HTR2AHTR2CKCNH2DRD2HTR6
SCHEMBL5457167 0.89 HTR2A (0.36) HTR2AHTR2CKCNH2DRD2HTR6
SCHEMBL5458561 0.89 HTR6 (0.45) HTR2AHTR2CKCNH2DRD2HTR6
SCHEMBL5455409 0.88 HTR2A (0.41) HTR2AHTR2CKCNH2DRD2USP2
SCHEMBL5450607 0.86 HTR2A (0.37) HTR2AHTR2CKCNH2DRD2HTR6
SCHEMBL5453940 0.85 HTR6 (0.37) HTR2AHTR2CDRD2HTR6DRD3
SCHEMBL5462496 0.84 KCNH2 (0.38) HTR2AHTR2CKCNH2HTR6RORC
SCHEMBL5459252 0.84 HTR2A (0.37) HTR2AHTR2CKCNH2DRD2HTR6
SCHEMBL5455500 0.84 KCNJ1 (0.38) HTR2AHTR2CKCNH2DRD2HTR6
SCHEMBL5450652 0.84 USP2 (0.36) HTR2AHTR2CKCNH2DRD2HTR6

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-1687005-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2006-08-09 EP claimed
WO-2005051398-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-06-09 WO claimed
US-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents GLAXO GROUP LIMITED (GB) 2007-09-27 US disclosed
EP-1687005-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
WO-2005051398-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-06-09 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 (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-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents HTR4, DRD4, SLC6A3 HTR2A 448/4885HTR2C 64/4885KCNH2 278/4885

“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.