SCHEMBL13196399

SCHEMBL13196399

c1ccc2c(c1)CCC2c1cnc[nH]1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.71
ADRA2B P18089 7/20 0.71
ADRA2C P18825 6/20 0.71
CYP19A1 P11511 1/20 0.66
CYP11B2 P19099 1/20 0.66
ADRA1A P35348 5/20 0.64
ADRA1D P25100 1/20 0.64
ADRA1B P35368 1/20 0.64

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
SCHEMBL779556 0.92 ADRA2A (0.64) ADRA2AADRA2BADRA2CCYP19A1CYP11B2
SCHEMBL7944637 0.80 CYP11B2 (1.00) ADRA2AADRA2BADRA2CCYP19A1CYP11B2
SCHEMBL31140124 0.78 ADRA2A (0.74) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL31140107 0.78 ADRA2A (0.64) ADRA2AADRA2BADRA2CCYP19A1CYP11B2
SCHEMBL31140093 0.78 ADRA2A (0.60) ADRA2AADRA2BADRA2CCYP19A1CYP11B2
SCHEMBL31140125 0.75 ADRA2A (0.57) ADRA2AADRA2BADRA2CCYP19A1CYP11B2
SCHEMBL769064 0.75 ADRA2A (0.67) ADRA2AADRA2BADRA2CCYP19A1CYP11B2
Hydrochloric Acid SCHEMBL768967 0.74 ADRA2A (0.66) ADRA2AADRA2BADRA2CCYP19A1CYP11B2
SCHEMBL18826066 0.73 CYP19A1 (0.54) ADRA2AADRA2BADRA2CCYP19A1CYP11B2
SCHEMBL31140109 0.72 ADRA2A (0.77) ADRA2AADRA2BADRA2CCYP19A1CYP11B2

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-10766866-B2 Deterrents for arthropods and marine organisms UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2020-09-08 US disclosed
US-20190292156-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH 2019-09-26 US disclosed
US-7767667-B2 Pesticidal heterocycles FMC CORPORATION (US) 2010-08-03 US disclosed
US-7767667-B2 Pesticidal heterocycles FMC CORPORATION (US) 2010-08-03 US disclosed
US-20090012070-A1 PESTICIDAL HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2009-01-08 US disclosed
US-20090012070-A1 PESTICIDAL HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2009-01-08 US disclosed
US-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
US-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
CN-1068592-C Imidazole derivatives having affinity for alpha 2 receptors activity ORION YHTYMAE OY (FI) 2001-07-18 CN disclosed
CN-1198741-A Imidazole derivatives having affinity for alpha 2 receptor activity ORION YHTYMAE OY (FI) 1998-11-11 CN 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 (3 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-10766866-B2 Deterrents for arthropods and marine organisms ALG1, NISCH, ALG8 ADRA2A 1749/4885ADRA2B 3315/4885ADRA2C 1733/4885
US-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE ADRA2A 1935/4885ADRA2B 1213/4885ADRA2C 560/4885
US-20190292156-A1 DETERRENTS FOR ARTHROPODS AND MARINE ORGANISMS ALG1, NISCH, ALG8 ADRA2A 1749/4885ADRA2B 3315/4885ADRA2C 1733/4885

“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.