SCHEMBL7930810

SCHEMBL7930810

CC(C)(C)OC(=O)NC1(CO)CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.46
DRD3 P35462 9/20 0.46
HTR1D P28221 2/20 0.46
DRD4 P21917 6/20 0.39
HTR5A P47898 1/20 0.38
GHSR Q92847 1/20 0.37
DRD1 P21728 4/20 0.36
DRD5 P21918 4/20 0.36

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
SCHEMBL12203701 0.89 DRD2 (0.42) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL7924669 0.83 GHSR (0.41) GHSR
SCHEMBL7923515 0.82 GHSR (0.42) DRD2DRD3HTR1DHTR5AGHSR
SCHEMBL7917719 0.82 GHSR (0.42) DRD2GHSR
SCHEMBL7917374 0.79 GHSR (0.42) DRD2GHSR
SCHEMBL7918411 0.77 GHSR (0.41) DRD2GHSR
SCHEMBL7924922 0.76 DRD2 (0.46) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL6645022 0.72 DRD2 (0.54) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL13753256 0.72 DRD2 (0.41) DRD2DRD3HTR1DDRD4HTR5A
SCHEMBL7925211 0.72 GHSR (0.38) GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2013-08-29 US disclosed
US-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2013-02-21 US disclosed
US-8324213-B2 Biaryl-spiroaminooxazoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-10-13 US disclosed
WO-2010042473-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 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 (3 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-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A DRD2 187/4885DRD3 286/4885HTR1D 130/4885
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A DRD2 225/4885DRD3 400/4885HTR1D 142/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 DRD2 234/4885DRD3 296/4885HTR1D 87/4885

“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.