SCHEMBL3738928

SCHEMBL3738928

Cc1ccc2c(c1)C(NC1=NCCO1)CC2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.57
ADRA2B P18089 11/20 0.57
ADRA2C P18825 11/20 0.57
ADRA1A P35348 7/20 0.57
TRPV1 Q8NER1 1/20 0.37
IDO1 P14902 1/20 0.35
CFB P00751 1/20 0.34
GMNN O75496 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
OPRK1 P41145 1/20 0.34
HIF1A Q16665 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL1723548 0.81 ADRA2B (0.84) ADRA2AADRA2BADRA2CADRA1AMAOA
SCHEMBL10558644 0.74 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL2215147 0.74 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ATRPV1
SCHEMBL2216731 0.74 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1ATRPV1
SCHEMBL1724062 0.73 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ATSHR
SCHEMBL23138723 0.72 PDPK1 (0.59) TRPV1IDO1MAOAMAOB
SCHEMBL4057043 0.70 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AGMNN
SCHEMBL4054961 0.69 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1ATRPV1
SCHEMBL11960137 0.68 PFKFB3 (0.37) TRPV1IDO1MAOAMAOB
SCHEMBL11960083 0.68 PFKFB3 (0.37) TRPV1IDO1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100280085-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2048951-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008017816-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 WO disclosed
WO-2008017816-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-02-14 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 (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-20100280085-A1 CHEMICAL COMPOUNDS ACHE, TYR, COX6B1 ADRA2A 2634/4885ADRA2B 2755/4885ADRA2C 1481/4885

“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.