SCHEMBL3223473

SCHEMBL3223473

CC(C)(C)N1CC[C@H](N(Cc2cc3c(cn2)OCCO3)C(=O)O)[C@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.34
CHRNA7 P36544 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL909709 0.85 UBE2M (0.40) KCNH2CHRNA7LMNATSHRNPC1
SCHEMBL3230322 0.79 KCNH2 (0.35) KCNH2LMNA
SCHEMBL4136545 0.79 KCNH2 (0.35) KCNH2LMNA
SCHEMBL3223010 0.79 KCNH2 (0.32) KCNH2CHRNA7TSHR
SCHEMBL4131766 0.79 KCNH2 (0.32) KCNH2CHRNA7TSHR
SCHEMBL3222992 0.79 KCNH2 (0.32) KCNH2CHRNA7TSHR
SCHEMBL3225484 0.73 HSD11B1 (0.41) NPC1
SCHEMBL12090974 0.73 NPC1 (0.33) KCNH2CHRNA7TSHRNPC1
SCHEMBL3223462 0.72 KCNH2 (0.32) KCNH2
SCHEMBL10313858 0.72 KCNH2 (0.32) KCNH2

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-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 KCNH2 3105/4885CHRNA7 4809/4885LMNA 2142/4885

“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.