SCHEMBL7928176

SCHEMBL7928176

COc1cncc(-c2cccc3c2C[C@@]2(C3)N=C(N)O[C@@H]2C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.41
CYP11B1 P15538 7/20 0.37
CYP11B2 P19099 7/20 0.37
BACE2 Q9Y5Z0 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP17A1 P05093 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
TDO2 P48775 1/20 0.34
CYP3A4 P08684 1/20 0.33
CTSD P07339 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP1A2 P05177 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
SCHEMBL7928171 0.87 BACE1 (0.34) BACE1BACE2CTSD
SCHEMBL7917913 0.84 BACE1 (0.34) BACE1BACE2KCNH2CTSD
SCHEMBL12203875 0.84 BACE1 (0.34) BACE1BACE2KCNH2CTSD
SCHEMBL12203870 0.84 BACE1 (0.34) BACE1BACE2KCNH2CTSD
SCHEMBL7923922 0.84 BACE1 (0.34) BACE1BACE2KCNH2CTSD
SCHEMBL7929352 0.84 BACE1 (0.34) BACE1BACE2KCNH2CTSD
SCHEMBL7929059 0.82 CYP11B1 (0.39) BACE1CYP11B1CYP11B2BACE2KCNH2
SCHEMBL7922850 0.81 BRD4 (0.40) KCNH2
SCHEMBL7929924 0.81 MAOA (0.32)
SCHEMBL7932538 0.80 ADRA1D (0.35)

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 6 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-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 (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-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A BACE1 2516/4885CYP11B1 311/4885CYP11B2 71/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 BACE1 2209/4885CYP11B1 200/4885CYP11B2 68/4885

“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.