SCHEMBL3736504

SCHEMBL3736504

CCCN(Cc1ccccc1)C1CCc2cccc(O)c2C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.79
HTR1A P08908 5/20 0.79
HTR7 P34969 3/20 0.79
DRD3 P35462 3/20 0.79
CYP1A2 P05177 3/20 0.79
TSHR P16473 3/20 0.79
HTR1D P28221 2/20 0.79
CYP2D6 P10635 2/20 0.79
HTR1B P28222 1/20 0.79
HTR2A P28223 1/20 0.79
HTR2C P28335 1/20 0.79
ADRA1A P35348 1/20 0.79
ADRA1B P35368 1/20 0.79
HTR2B P41595 1/20 0.79
HTR5A P47898 1/20 0.79
BLM P54132 1/20 0.77
ALDH1A1 P00352 1/20 0.77
LMNA P02545 1/20 0.77
PMP22 Q01453 1/20 0.77
DRD1 P21728 3/20 0.67

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
SCHEMBL6820459 0.90 HTR1A (0.65) DRD2HTR1AHTR7DRD3CYP1A2
SCHEMBL8158925 0.90 HTR1A (0.65) DRD2HTR1AHTR7DRD3CYP1A2
SCHEMBL7023248 0.90 HTR1A (0.65) DRD2HTR1AHTR7DRD3CYP1A2
SCHEMBL3748260 0.90 HTR1A (0.74) DRD2HTR1AHTR7DRD3CYP1A2
SCHEMBL13042650 0.90 HTR1A (0.74) DRD2HTR1AHTR7DRD3CYP1A2
SCHEMBL2023821 0.89 DRD2 (0.83) DRD2HTR1AHTR7DRD3CYP1A2
Bromide SCHEMBL4750964 0.89 BLM (0.66) DRD2HTR1AHTR7DRD3CYP1A2
8-Oh-Dpat SCHEMBL1682330 0.89 HTR1A (1.00) DRD2HTR1AHTR7DRD3CYP1A2
8-Oh-Dpat SCHEMBL1682347 0.89 HTR1A (1.00) DRD2HTR1AHTR7DRD3CYP1A2
8-Oh-Dpat SCHEMBL496783 0.89 HTR1A (1.00) DRD2HTR1AHTR7DRD3CYP1A2

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 10 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
US-7655599-B2 Formulation comprising 1-40 w/w % fluoxastrobin, 5-30 w/w % emulsifier, penetration promoter, and optionally additives, and 20-70 w/w % gamma-butyrolactone and 5-20 w/w % of at least one ethylene diamine alkoxylate, which acts as an emulsion stabilizer or a crystallization inhibitor BAYER CROPSCIENCE AG (DE) 2010-02-02 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
US-20060183639-A1 Agrochemical formulations BAYER CROPSCIENCE AG (DE) 2006-08-17 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 (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-20060183639-A1 Agrochemical formulations DDT, ALKBH3, DDC DRD2 2172/4885HTR1A 3651/4885HTR7 1854/4885
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ADRA2B, ADRA1B, ADRB2 DRD2 310/4885HTR1A 17/4885HTR7 32/4885

“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.