SCHEMBL7931315

SCHEMBL7931315

COc1cncc(-c2cccc3c2CC2(CC3)CNC=N2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL12204271 0.86 PIM1 (0.31) ADRA2APIM1PIM3PIM2
SCHEMBL7925311 0.82 BACE1 (0.34) CYP11B1CYP11B2LRRK2
SCHEMBL12203467 0.80 TAAR1 (0.40) ADRA2ALRRK2
SCHEMBL7927172 0.79 TAAR1 (0.54) ADRA2ALRRK2HSP90AA1HSP90AB1
SCHEMBL7929979 0.74 PRCP (0.48) ADRA2A
SCHEMBL7917921 0.71 TAAR1 (0.47) ADRA2ALRRK2HSP90AA1HSP90AB1
SCHEMBL7918039 0.71 TAAR1 (0.47) ADRA2ALRRK2HSP90AA1HSP90AB1
SCHEMBL7922768 0.70 HTR1A (0.39) ADRA2A
SCHEMBL7923618 0.70 ADRA1A (0.40) ADRA2A
SCHEMBL7927717 0.69 TAAR1 (0.32) ADRA2ALRRK2

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 ADRA2A 3/4885CYP11B1 311/4885CYP11B2 71/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 ADRA2A 4/4885CYP11B1 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.