SCHEMBL7925689

SCHEMBL7925689

NC1=N[C@@]2(CCc3c(cccc3-c3cccnc3)C2)CO1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
BACE1 P56817 8/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CTSD P07339 2/20 0.36
TDO2 P48775 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA1A P35348 1/20 0.34
DHPS P49366 1/20 0.34

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
SCHEMBL7918292 1.00 ADRA2A (0.52) ADRA2ATAAR1BACE1CYP11B1CYP11B2
SCHEMBL7920686 0.91 ADRA2A (0.61) ADRA2ATAAR1BACE1CYP11B1CYP11B2
SCHEMBL7920799 0.91 ADRA2A (0.61) ADRA2ATAAR1BACE1CYP11B1CYP11B2
SCHEMBL7923138 0.91 ADRA2A (0.61) ADRA2ATAAR1BACE1CYP11B1CYP11B2
SCHEMBL7924445 0.89 TAAR1 (0.54) ADRA2ATAAR1BACE1CTSD
SCHEMBL7917914 0.89 TAAR1 (0.54) ADRA2ATAAR1BACE1CTSD
SCHEMBL7917980 0.89 TAAR1 (0.54) ADRA2ATAAR1BACE1CTSD
SCHEMBL7924157 0.87 TAAR1 (0.57) ADRA2ATAAR1BACE1CTSDSMN1; SMN2
SCHEMBL12203452 0.87 CYP11B1 (0.41) ADRA2ATAAR1BACE1CYP11B1CYP11B2
SCHEMBL12203570 0.87 CYP11B1 (0.41) ADRA2ATAAR1BACE1CYP11B1CYP11B2

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 ADRA2A 3/4885TAAR1 186/4885BACE1 2333/4885
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A ADRA2A 3/4885TAAR1 162/4885BACE1 2516/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 ADRA2A 4/4885TAAR1 145/4885BACE1 2209/4885

“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.