SCHEMBL7030896

SCHEMBL7030896

CC(=O)Nc1ccc(C(=O)NCCN2CC3CC(C2)CN(CC(COc2ccc(C#N)cc2)CC(=O)O)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
KCNH2 Q12809 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PGR P06401 1/20 0.38
POLB P06746 1/20 0.38
JAK2 O60674 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL6993767 0.89 KCNH2 (0.51) NAMPTKCNH2HRH2HRH1CD274
SCHEMBL6989049 0.87 NAMPT (0.41) NAMPTKCNH2HRH2HRH1CD274
SCHEMBL7030903 0.84 NAMPT (0.40) NAMPTKCNH2HRH2HRH1CD274
SCHEMBL6995821 0.79 KCNH2 (0.53) NAMPTKCNH2HRH2HRH1CD274
SCHEMBL7036069 0.77 KCNH2 (0.52) KCNH2HRH2HRH1CD274POLB
SCHEMBL7028488 0.77 CD274 (0.61) NAMPTCD274DRD3MKNK1MKNK2
SCHEMBL6989327 0.75 KCNH2 (0.49) KCNH2CD274POLBLMNAMAPT
SCHEMBL7031260 0.74 KCNH2 (0.58) KCNH2POLBGLAMAPTTSHR
SCHEMBL6997502 0.73 KCNH2 (0.46) KCNH2HRH2HRH1CD274POLB
SCHEMBL6997557 0.70 CCR3 (0.48) NAMPTHRH2HRH1CD274LMNA

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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E NAMPT 4547/4885KCNH2 7/4885HRH2 229/4885

“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.