SCHEMBL1959952

SCHEMBL1959952

O=S(=O)(Nc1ccc2c(c1)CCN(CCCC(F)(F)F)CC2)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.52
DRD3 P35462 9/20 0.52
HTR6 P50406 7/20 0.52
HTR2A P28223 6/20 0.52
HTR2C P28335 6/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
EPHX2 P34913 1/20 0.52
MLNR O43193 6/20 0.47
MOGAT2 Q3SYC2 3/20 0.46
GHSR Q92847 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNA1 Q09470 1/20 0.44

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
SCHEMBL1960721 0.94 DRD2 (0.51) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1959733 0.90 DRD2 (0.52) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1960382 0.89 DRD2 (0.61) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1960292 0.89 DRD2 (0.51) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1957424 0.87 HTR6 (0.51) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1960126 0.86 DRD2 (0.58) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1959549 0.86 EPHX2 (0.55) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1960018 0.86 HTR6 (0.48) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1960351 0.85 DRD2 (0.57) DRD2DRD3HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL1960794 0.84 DRD2 (0.54) DRD2DRD3HTR6HTR2AHTR2C

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
US-8207160-B2 Tetrahydrobenzazepines and their use in he modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-26 US disclosed
EP-1694334-B1 TETRAHYDROBENZAZEPINES AND THEIR USE IN THE MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-10-19 EP disclosed
EP-2332543-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-04-23 US disclosed
US-20050137186-A1 Tetrahydrobenzazepines and their use ABBOTT GMBH & CO. KG. 2005-06-23 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 (2 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-20050137186-A1 Tetrahydrobenzazepines and their use DRD3, ADRB3, AVPR1B DRD2 9/4885DRD3 1/4885HTR6 115/4885
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor DRD3, DRD2, ADRB3 DRD2 2/4885DRD3 1/4885HTR6 124/4885

“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.