SCHEMBL5452896

SCHEMBL5452896

CN1CCc2cc(N(C)C)c(S(=O)(=O)c3ccc(Cc4ccc(Cl)cc4)cc3)cc2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.42
DRD2 P14416 10/20 0.42
DRD3 P35462 9/20 0.42
HTR6 P50406 9/20 0.42
HTR2A P28223 9/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL5458151 0.91 LTA4H (0.43) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL5459725 0.90 SIGMAR1 (0.42) CYP1A2CYP3A4CYP2D6LMNAUSP2
SCHEMBL5452773 0.90 USP2 (0.42) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL14411990 0.90 HTR6 (0.43) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL5453002 0.90 USP2 (0.42) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL5444698 0.90 CNR2 (0.40) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL5449041 0.90 DRD2 (0.43) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL5458495 0.89 USP2 (0.36) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL5462456 0.89 USP2 (0.41) HTR2CDRD2DRD3HTR6HTR2A
SCHEMBL5445721 0.89 USP2 (0.41) HTR2CDRD2DRD3HTR6HTR2A

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
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

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 HTR2C 64/4885DRD2 46/4885DRD3 4/4885

“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.