SCHEMBL7916587

SCHEMBL7916587

Cc1n[nH]c(C)c1-c1ccc2c(c1)CCC1(COC(N)=N1)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
ADRA2A P08913 1/20 0.42
OTUD7B Q6GQQ9 2/20 0.39
CHEK1 O14757 1/20 0.35
AKT2 P31751 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
ACVR1 Q04771 1/20 0.33
ABL1 P00519 1/20 0.33
IKBKB O14920 2/20 0.33
BRD4 O60885 1/20 0.33
BACE1 P56817 5/20 0.33
CTSD P07339 2/20 0.32
PRKCQ Q04759 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7916591 1.00 TAAR1 (0.42) TAAR1ADRA2AOTUD7BCHEK1AKT2
SCHEMBL7924966 1.00 TAAR1 (0.42) TAAR1ADRA2AOTUD7BCHEK1AKT2
SCHEMBL7923477 0.96 TAAR1 (0.42) TAAR1ADRA2AOTUD7BCHEK1AKT2
SCHEMBL7928718 0.91 OTUD7B (0.39) TAAR1ADRA2AOTUD7BCHEK1AKT2
SCHEMBL12203463 0.89 OTUD7B (0.40) TAAR1ADRA2AOTUD7BCHEK1AKT2
SCHEMBL15080294 0.85 OTUD7B (0.38) OTUD7BCHEK1AKT2MKNK1PIK3CD
SCHEMBL7928884 0.85 PIK3CD (0.40) OTUD7BCHEK1AKT2MKNK1PIK3CD
SCHEMBL12203567 0.85 OTUD7B (0.40) TAAR1ADRA2AOTUD7BCHEK1AKT2
SCHEMBL7925273 0.82 OTUD7B (0.39) OTUD7BCHEK1AKT2MKNK1PIK3CD
SCHEMBL7924981 0.82 BRD4 (0.47) TAAR1ADRA2AOTUD7BBRD4

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 TAAR1 186/4885ADRA2A 3/4885OTUD7B 3384/4885
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A TAAR1 162/4885ADRA2A 3/4885OTUD7B 3564/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 TAAR1 145/4885ADRA2A 4/4885OTUD7B 3289/4885

“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.