SCHEMBL4716654

SCHEMBL4716654

[CH2]CC1CCN(c2ncccc2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
KMT2A Q03164 1/20 0.43
MALT1 Q9UDY8 2/20 0.42
TRPV1 Q8NER1 2/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
TGM3 Q08188 1/20 0.41
DRD4 P21917 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LCAT P04180 1/20 0.39
SMO Q99835 1/20 0.39

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
SCHEMBL14587774 0.84 HSD11B1 (0.48) HSD11B1KMT2AMALT1TRPV1F13A1
SCHEMBL30778167 0.82 HSD11B1 (0.47) HSD11B1KMT2AMALT1TRPV1F13A1
SCHEMBL4769377 0.82 HSD11B1 (0.47) HSD11B1KMT2AMALT1TRPV1DRD4
Hydrochloric Acid SCHEMBL4422336 0.81 HSD11B1 (0.46) HSD11B1KMT2AMALT1TRPV1DRD4
SCHEMBL17206944 0.81 HSD11B1 (0.50) HSD11B1KMT2AMALT1TRPV1PDE10A
SCHEMBL3552058 0.81 KMT2A (0.61) HSD11B1KMT2AMALT1TRPV1PDE10A
SCHEMBL2804196 0.80 HSD11B1 (0.49) HSD11B1KMT2AMALT1TRPV1
SCHEMBL3436628 0.80 HSD11B1 (0.49) HSD11B1KMT2AMALT1TRPV1DRD4
SCHEMBL3436511 0.80 SMO (0.53) HSD11B1KMT2AMALT1TRPV1DRD4
SCHEMBL24126285 0.77 HSD11B1 (0.47) HSD11B1KMT2AMALT1TRPV1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
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
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
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 (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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 HSD11B1 3842/4885KMT2A 1951/4885MALT1 4839/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 HSD11B1 1893/4885KMT2A 4091/4885MALT1 4510/4885

“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.