SCHEMBL6030875

SCHEMBL6030875

[CH2]CC1CCN(c2cc(C)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
CHI3L1 P36222 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHIA Q9BZP6 1/20 0.44
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
DRD4 P21917 2/20 0.41
KARS1 Q15046 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL2146764 0.85 CHRM4 (0.49) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4772858 0.82 CHRM4 (0.50) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL4432257 0.81 CHRM4 (0.49) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15337848 0.81 GRIN2D (0.51) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13622619 0.80 FFAR4 (0.54) CHRM4CPT2CPT1ACPT1BGPBAR1
SCHEMBL18949715 0.80 GRIN2D (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2130656 0.80 GRIN2D (0.50) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24454255 0.79 GPBAR1 (0.47) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24454074 0.79 GPBAR1 (0.47) CHRM4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2146572 0.77 CHRM4 (0.44) CHRM4GRIN2DGRIN3BGRIN1GRIN2A

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-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US claimed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 CHRM4 1176/4885GRIN2D 2142/4885GRIN3B 1288/4885

“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.