SCHEMBL3737540

SCHEMBL3737540

c1ccc2c(c1)CCC2C1=NCCO1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.49
ADRA2A P08913 4/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
CYP2D6 P10635 2/20 0.42
HTR1A P08908 1/20 0.42
OPRM1 P35372 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
IDO1 P14902 2/20 0.38
PDPK1 O15530 1/20 0.38
LMNA P02545 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP11B2 P19099 1/20 0.36

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 0.71 ADRA2B (0.84) ADRA1AADRA2AADRA2BADRA2CPDPK1
SCHEMBL10930958 0.68 CYP2D6 (0.83) ADRA1AADRA2ACYP2D6HTR1AOPRM1
SCHEMBL11407636 0.68 HTR2A (0.38) ADRA1AADRA2AADRA2BADRA2CMEN1
SCHEMBL503849 0.67 SIGMAR1 (0.62) ADRA1ACYP2D6MEN1KMT2ATAAR1
SCHEMBL29390302 0.67 SIGMAR1 (0.62) ADRA1ACYP2D6MEN1KMT2ATAAR1
SCHEMBL8086470 0.67 ADRA1A (0.63) ADRA1AADRA2AADRA2BADRA2CCYP2D6
SCHEMBL30606845 0.66 SIGMAR1 (0.60) ADRA1ACYP2D6MEN1KMT2ATAAR1
SCHEMBL14247675 0.66 ADRA1A (0.49) ADRA1AADRA2ACYP2D6HTR1AOPRM1
SCHEMBL28806293 0.66 ADRA1A (0.49) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Ammonia Solution, Strong SCHEMBL8210515 0.66 SIGMAR1 (0.60) ADRA1ACYP2D6MEN1KMT2ATAAR1

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 3 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
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

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 ADRA1A 1702/4885ADRA2A 2634/4885ADRA2B 2755/4885

“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.