SCHEMBL2790488

SCHEMBL2790488

COc1cc2c(cc1C)CCC2C1=NCCN1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
HTR1A P08908 1/20 0.44
OPRM1 P35372 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR2A P28223 1/20 0.39
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TSHR P16473 1/20 0.37
MAOA P21397 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 0.93 ADRA1A (0.54) CYP2D6ADRA2AADRA1AHTR1AOPRM1
Hydrochloric Acid SCHEMBL10749865 0.82 CYP2D6 (0.59) CYP2D6ADRA2AADRA1AHTR1AOPRM1
SCHEMBL2777913 0.79 ADRA2A (0.41) CYP2D6ADRA2AADRA1AHTR1AOPRM1
SCHEMBL9814120 0.79 ADRA1A (0.53) CYP2D6ADRA2AADRA1AHTR1AOPRM1
SCHEMBL6167543 0.79 ADRA2A (0.40) CYP2D6ADRA2AADRA1AHTR1AOPRM1
Hydrochloric Acid SCHEMBL10749333 0.78 CYP2D6 (0.54) CYP2D6ADRA2AADRA1AHTR1AOPRM1
Hydrochloric Acid SCHEMBL9814104 0.77 CYP2D6 (0.52) CYP2D6ADRA2AADRA1AHTR1AOPRM1
SCHEMBL10851796 0.77 ADRA2A (0.41) CYP2D6ADRA2AADRA1AHTR1AOPRM1
SCHEMBL9814124 0.77 ADRA1A (0.53) CYP2D6ADRA2AADRA1AHTR1AOPRM1
Hydrochloric Acid SCHEMBL10749519 0.76 CYP2D6 (0.54) CYP2D6ADRA2AADRA1AHTR1AOPRM1

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 4 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
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 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-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE CYP2D6 1682/4885ADRA2A 1935/4885ADRA1A 1130/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE CYP2D6 1201/4885ADRA2A 1884/4885ADRA1A 974/4885

“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.