SCHEMBL5841130

SCHEMBL5841130

CC(=O)NCC[N+]1(C2CC2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
EPHX1 P07099 2/20 0.32
PAOX Q6QHF9 3/20 0.32
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL4774903 0.83 MEN1 (0.41) KDM4EALDH1A1EPHX1NQO2MTNR1A
SCHEMBL15495272 0.74 BBOX1 (0.46) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL15495268 0.74 BBOX1 (0.46) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL7415079 0.71 KDM4E (0.41) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL11686403 0.68 BBOX1 (0.52) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL8392277 0.64 EPHX1 (0.59) KDM4EMAPK1HIF1ATSHREPHX1
SCHEMBL931424 0.64 EPHX1 (0.59) KDM4EMAPK1HIF1ATSHREPHX1
SCHEMBL26395073 0.64
SCHEMBL5271992 0.63 CYP1A2 (0.33)
SCHEMBL7192370 0.63 CYP1A2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074783-B2 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-07-11 US disclosed
US-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-15 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-20040138208-A1 Sulfonylbenzodiazepinone acetamides as bradykinin antagonists BDKRB1, BDKRB2, HRH2 KDM4E 3248/4885MAPK1 2095/4885HIF1A 1346/4885

“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.