SCHEMBL1147595

SCHEMBL1147595

CCN(CC)CCCC(CCCN(CC)CC)Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.81
CHRM2 P08172 2/20 0.81
CHRM4 P08173 2/20 0.81
CHRM5 P08912 2/20 0.81
ADRA2A P08913 2/20 0.81
CHRM1 P11229 2/20 0.81
ADRA2B P18089 2/20 0.81
ADRA2C P18825 2/20 0.81
CHRM3 P20309 2/20 0.81
KCNH2 Q12809 2/20 0.81
TMEM97 Q5BJF2 2/20 0.81
SIGMAR1 Q99720 2/20 0.81
ACE2 Q9BYF1 2/20 0.81
APP P05067 2/20 0.81
CYP2D6 P10635 1/20 0.81
CYP2C19 P33261 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
PRNP P04156 1/20 0.81
NQO2 P16083 1/20 0.81
MTOR P42345 1/20 0.81

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
SCHEMBL12858889 0.98 NR4A2 (0.78) NR4A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL12858976 0.98 NR4A2 (0.78) NR4A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL1147031 0.97 NR4A2 (0.76) NR4A2CHRM2CHRM4CHRM5ADRA2A
SCHEMBL17811406 0.90 CHRM2 (0.70) NR4A2CHRM2CHRM4CHRM5ADRA2A
(R)-Chloroquine SCHEMBL134500 0.90 CHRM2 (1.00) NR4A2CHRM2CHRM4CHRM5ADRA2A
Chloroquine SCHEMBL8934 0.90 CHRM2 (1.00) NR4A2CHRM2CHRM4CHRM5ADRA2A
Chloroquine SCHEMBL29363614 0.90 CHRM2 (1.00) NR4A2CHRM2CHRM4CHRM5ADRA2A
Chloroquine SCHEMBL8933 0.90 CHRM2 (1.00) NR4A2CHRM2CHRM4CHRM5ADRA2A
Chloroquine SCHEMBL8474661 0.90 CHRM2 (1.00) NR4A2CHRM2CHRM4CHRM5ADRA2A
(R)-Chloroquine SCHEMBL29429108 0.90 CHRM2 (1.00) NR4A2CHRM2CHRM4CHRM5ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-02-24 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 (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-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof NQO2, QTRT1, QTRT2 NR4A2 4496/4885CHRM2 2264/4885CHRM4 2013/4885

“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.