SCHEMBL7925273

SCHEMBL7925273

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 2/20 0.39
CHEK1 O14757 1/20 0.35
AKT2 P31751 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
ACVR1 Q04771 1/20 0.34
IKBKB O14920 4/20 0.33
BRD4 O60885 3/20 0.33
ABL1 P00519 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKCQ Q04759 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC1 Q13547 1/20 0.32
BRD3 Q15059 1/20 0.31
LRRK2 Q5S007 1/20 0.31
IKBKE Q14164 1/20 0.30
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL7922783 0.96 OTUD7B (0.39) OTUD7BCHEK1AKT2MKNK1ACVR1
SCHEMBL7924966 0.82 TAAR1 (0.42) OTUD7BCHEK1AKT2MKNK1ACVR1
SCHEMBL7916587 0.82 TAAR1 (0.42) OTUD7BCHEK1AKT2MKNK1ACVR1
SCHEMBL7922955 0.81 PRMT5 (0.36) BRD4PIK3CDPIK3CG
SCHEMBL12203463 0.79 OTUD7B (0.40) OTUD7BCHEK1AKT2MKNK1ACVR1
SCHEMBL7924565 0.79 OTUD7B (0.37) OTUD7BABL1
SCHEMBL7924455 0.77 BRD4 (0.46) OTUD7BBRD4BRD3
SCHEMBL7927026 0.77 UCHL1 (0.33) CHEK1AKT2KDM4E
SCHEMBL7923477 0.77 TAAR1 (0.42) OTUD7BCHEK1AKT2MKNK1ACVR1
SCHEMBL7917905 0.76 BACE1 (0.38) OTUD7B

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 11 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-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 (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 OTUD7B 3564/4885CHEK1 1791/4885AKT2 593/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 OTUD7B 3289/4885CHEK1 1802/4885AKT2 1041/4885

“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.