SCHEMBL2779092

SCHEMBL2779092

COc1cc2c(cc1C)CCCC2c1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 15/20 0.54
ADRA2A P08913 3/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1B P35368 2/20 0.54
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2A P28223 1/20 0.37

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
SCHEMBL2776285 0.76 ADRA1A (0.54) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL9814143 0.76 ADRA1A (0.70) ADRA1AADRA2AADRA1DADRA1BCYP2D6
Hydrochloric Acid SCHEMBL10756176 0.75 ADRA1A (0.69) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL769219 0.73 ADRA1A (0.53) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL769101 0.71 ADRA1A (1.00) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL14969050 0.70 ADRA1A (0.65) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL14968990 0.70 ADRA1A (0.63) ADRA1AADRA2AADRA1DADRA1BCYP2D6
SCHEMBL11478213 0.70 UGT2B17 (0.46) CYP2D6HTR2A
SCHEMBL2774645 0.68 ADRA2A (0.53) ADRA1AADRA2AADRA1DADRA1B
SCHEMBL2790488 0.68 CYP2D6 (0.44) ADRA1AADRA2AADRA1DADRA1BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
EP-1499609-A4 PESTICIDAL HETEROCYCLES FMC CORP (US) 2005-09-14 EP disclosed
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 US disclosed
EP-1499609-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2005-01-26 EP disclosed
WO-2003092374-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2003-11-13 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-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE ADRA1A 1130/4885ADRA2A 1935/4885ADRA1D 1129/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE ADRA1A 974/4885ADRA2A 1884/4885ADRA1D 1044/4885

“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.