SCHEMBL3730004

SCHEMBL3730004

CCN(Cc1ccncc1)C1CCc2cccc(OC)c2C1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 2/20 0.61
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
CYP19A1 P11511 2/20 0.54

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
SCHEMBL3740505 0.91 DRD2 (0.70) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL13042649 0.91 DRD2 (0.70) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL3730334 0.88 DRD2 (0.58) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL8892571 0.85 DRD2 (0.82) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL3806268 0.85 HTR1A (0.62) DRD2DRD3CHRM3
SCHEMBL7031018 0.83 DRD2 (0.71) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL6820053 0.83 DRD2 (0.71) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL3733831 0.82 DRD2 (0.59) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL8893091 0.81 DRD2 (0.74) DRD2DRD4DRD3CHRM2CHRM1
SCHEMBL3732774 0.81 DRD2 (0.85) DRD2DRD4DRD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829587-B2 Substituted 2-aminotetralin derivatives as selective alpha 2B agonist ALLERGAN, INC. (US) 2010-11-09 US disclosed
US-7829587-B2 Substituted 2-aminotetralin derivatives as selective alpha 2B agonist ALLERGAN, INC. (US) 2010-11-09 US disclosed
US-7829587-B2 Substituted 2-aminotetralin derivatives as selective alpha 2B agonist ALLERGAN, INC. (US) 2010-11-09 US disclosed
WO-2009089284-A2 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. (US) 2009-07-16 WO disclosed
WO-2009089284-A2 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. (US) 2009-07-16 WO disclosed
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. 2009-07-09 US disclosed
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. 2009-07-09 US disclosed
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. 2009-07-09 US 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 (1 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-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ADRA2B, ADRA1B, ADRB2 DRD2 310/4885DRD4 786/4885DRD3 579/4885

“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.