SCHEMBL5452773

SCHEMBL5452773

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR6 P50406 4/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR2 P41597 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
CA2 P00918 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM1 P11229 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
SCHEMBL5453002 0.91 USP2 (0.42) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL14411990 0.91 HTR6 (0.43) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5452896 0.90 HTR2C (0.42) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5462456 0.90 USP2 (0.41) USP2SMN1; SMN2KCNH2HTR6HTR2A
SCHEMBL5445721 0.90 USP2 (0.41) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5459209 0.88 DRD1 (0.43) USP2SMN1; SMN2HTR2AHTR2CDRD3
SCHEMBL5457597 0.88 USP2 (0.40) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5459725 0.87 SIGMAR1 (0.42) USP2SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL5448741 0.87 USP2 (0.39) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5458561 0.87 HTR6 (0.45) USP2SMN1; SMN2KCNJ1KCNH2HTR6

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 USP2 4595/4885SMN1; SMN2 2075/4885KCNJ1 348/4885

“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.