SCHEMBL3149299

SCHEMBL3149299

N#CC1Cc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
DRD3 P35462 6/20 0.41
HTR1D P28221 3/20 0.41
AKR1C3 P42330 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
DRD4 P21917 5/20 0.35
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
HTR1A P08908 2/20 0.34
HTR1B P28222 2/20 0.34
HSD11B1 P28845 1/20 0.34
CHRM1 P11229 4/20 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
SCHEMBL3157558 0.79 RAB9A (0.40) CA1CA2
SCHEMBL3163095 0.75 CHRNA7 (0.47) DRD2DRD3CA1CA2DRD4
SCHEMBL3158661 0.74 DRD2 (0.44) DRD2DRD3HTR1DCA1CA2
SCHEMBL31435300 0.73 EPAS1 (0.40) DRD2DRD3HTR1DAKR1C3CA1
SCHEMBL15318963 0.72 DRD2 (0.40) DRD2DRD3HTR1DAKR1C3CA1
SCHEMBL3154771 0.72 CHRNB2 (0.50) CA1CA2
SCHEMBL10214251 0.71 DRD2 (0.42) DRD2DRD3HTR1DCA1CA2
SCHEMBL28504373 0.70 HTR6 (0.44) DRD2DRD3HTR1DAKR1C3DRD4
SCHEMBL8618855 0.69 MAOB (0.45) HTR1DCA1CA2HTR1AHTR1B
SCHEMBL10247310 0.69 DRD2 (0.61) DRD2DRD3HTR1DCA1CA2

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-8076325-B2 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-12-13 US disclosed
EP-2036892-B1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-03-10 EP disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 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-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 DRD2 332/4885DRD3 357/4885HTR1D 76/4885

“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.