SCHEMBL5453940

SCHEMBL5453940

CN1CCc2cc(N(C)C)c(S(=O)(=O)c3ccc(Cc4ccccc4F)cc3)cc2CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
PKM P14618 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL5457179 0.90 HTR6 (0.38) HTR6SMN1; SMN2HTR2CUSP2RORC
SCHEMBL5455409 0.89 HTR2A (0.41) SMN1; SMN2HTR2CUSP2CA2DRD2
SCHEMBL5457591 0.89 RORC (0.36) HTR6SMN1; SMN2HTR2CPKMUSP2
SCHEMBL5446982 0.88 USP2 (0.34) HTR6SMN1; SMN2HTR2CUSP2CA2
SCHEMBL5448785 0.88 TP53 (0.38) HTR6SMN1; SMN2HTR2CHTR2BUSP2
SCHEMBL14411990 0.87 HTR6 (0.43) HTR6SMN1; SMN2HTR2CUSP2CYP1A2
SCHEMBL5445721 0.86 USP2 (0.41) HTR6SMN1; SMN2HTR2CHTR2BUSP2
SCHEMBL5458510 0.86 HTR6 (0.36) HTR6SMN1; SMN2HTR2CUSP2ALDH1A1
SCHEMBL5450670 0.86 SIGMAR1 (0.40) HTR6HTR2CDRD2HTR2ADRD3
SCHEMBL5462496 0.85 KCNH2 (0.38) HTR6SMN1; SMN2HTR2CUSP2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225276-A1 7-Phenylsulfonyl-Tetrahydro-3-Benzazepine Dervatives as Antipsychotic Agents GLAXO GROUP LIMITED (GB) 2007-09-27 US 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 HTR6 166/4885SMN1; SMN2 2075/4885ATM 4644/4885

“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.