SCHEMBL7925008

SCHEMBL7925008

NC1=NC2(CCc3ccc(-c4ccccc4)cc3C2)CN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.37
TDP2 O95551 2/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TYRO3 Q06418 1/20 0.34
NTRK2 Q16620 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
APP P05067 1/20 0.34
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL7926463 0.95 TDP2 (0.36) BACE1TDP2PARP10PARP11CYP11B1
SCHEMBL7925014 0.85 BACE1 (0.38) BACE1CYP11B1CYP11B2KDM1A
SCHEMBL7926467 0.83 CYP11B1 (0.51) BACE1TDP2CYP11B1CYP11B2KDM1A
SCHEMBL7925006 0.83 HRH1 (0.32) BACE1
SCHEMBL7922787 0.82 ADORA1 (0.40) CYP11B1CYP11B2
SCHEMBL7925938 0.80 BACE1 (0.39) BACE1APPKDM1A
SCHEMBL7917905 0.80 BACE1 (0.38) BACE1CYP11B1CYP11B2KDM1A
SCHEMBL12204205 0.79 PRCP (0.37) PARP10PARP11KDM4EMAPT
SCHEMBL7922780 0.79 OTUD7B (0.40) BACE1CYP11B2
SCHEMBL7924565 0.78 OTUD7B (0.37) BACE1CYP11B2CLK4

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 12 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-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-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
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 BACE1 2333/4885TDP2 2695/4885PARP10 3147/4885
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A BACE1 2516/4885TDP2 2695/4885PARP10 3253/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 BACE1 2209/4885TDP2 3136/4885PARP10 3326/4885

“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.