SCHEMBL3732774

SCHEMBL3732774

CCCN(Cc1ccccc1)C1CCc2cccc(OC)c2C1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.85
DRD3 P35462 2/20 0.67
DRD4 P21917 1/20 0.67
HTR1D P28221 2/20 0.63
HTR1B P28222 2/20 0.63
HTR1A P08908 1/20 0.63

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
SCHEMBL6820053 0.92 DRD2 (0.71) DRD2DRD3DRD4
SCHEMBL7031018 0.92 DRD2 (0.71) DRD2DRD3DRD4
SCHEMBL13042649 0.90 DRD2 (0.70) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL3740505 0.90 DRD2 (0.70) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL2020108 0.90 DRD2 (0.69) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL2218622 0.89 DRD2 (0.82) DRD2DRD3DRD4HTR1DHTR1B
Hydrochloric Acid SCHEMBL9355015 0.88 DRD2 (0.81) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL3743707 0.87 DRD2 (0.66) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL8893091 0.87 DRD2 (0.74) DRD2DRD3DRD4HTR1DHTR1B
SCHEMBL3736504 0.85 DRD2 (0.79) DRD2DRD3DRD4HTR1DHTR1B

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 9 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
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
WO-1981003491-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES ASTRA LAEKEMEDEL AB (SE) 1981-12-10 WO disclosed
EP-0041488-A1 Therapeutically useful tetralin derivatives Arvidsson, Folke Lars-Erik (SE) 1981-12-09 EP 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 310/4885DRD3 579/4885DRD4 786/4885

“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.