SCHEMBL12359786

SCHEMBL12359786

CCN(C(=O)NOC)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ NR1H2 P55055 1/20 0.40
▸ ESR2 Q92731 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ GPR119 Q8TDV5 7/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ NPY2R P49146 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NR1I3 Q14994 1/20 0.36
▸ NOTUM Q6P988 2/20 0.35
▸ MPO P05164 1/20 0.35

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
SCHEMBL12359602 0.78 CHRM4 (0.46) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL12359785 0.78 CHRM4 (0.41) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL1098102 0.75 NR1H2 (0.62) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL31521005 0.75 NR1H2 (0.62) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL12359781 0.75 CHRM4 (0.49) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL3571209 0.75 HDAC1 (0.53) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL29940282 0.75 HDAC1 (0.53) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL14230676 0.74 DRD2 (0.55) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL12511778 0.74 CHRM4 (0.46) CHRM4DRD2HTR7NR1H2ESR2
SCHEMBL23063860 0.74 DRD2 (0.52) CHRM4DRD2HTR7NR1H2ESR2

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-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 — — US disclosed
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 — — US disclosed
EP-1945626-B1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORP (US) 2011-07-27 — — EP disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 — — US disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 — — US disclosed
WO-2008100457-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 — — WO disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 — — US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 — — US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 — — US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 — — US disclosed
WO-2007024944-A1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 — — 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-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A CHRM4 96/4885DRD2 130/4885HTR7 83/4885
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A CHRM4 96/4885DRD2 130/4885HTR7 83/4885

“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.

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