SCHEMBL18663448

SCHEMBL18663448

O=C(O)N1CC(C(O)c2ccc(O)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
HSD17B2 P37059 1/20 0.37
SRC P12931 1/20 0.36
DHODH Q02127 1/20 0.36
GRIN2B Q13224 10/20 0.35
GRIN1 Q05586 4/20 0.34
GRM8 O00222 1/20 0.34
GRM4 Q14833 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL23212076 0.85 CYP2D6 (0.45) HSD17B2
SCHEMBL27674158 0.85 HSD17B2 (0.41) HSD17B2GRIN2B
SCHEMBL2571281 0.81 HSD17B2 (0.45) HSD17B2GRM8GRM4ALDH1A1GAA
SCHEMBL18249590 0.78 CES2 (0.43) ALDH1A1KMT2A
SCHEMBL16225130 0.77 ESR2 (0.44) ALDH1A1KMT2A
SCHEMBL18249584 0.75 CES2 (0.40)
SCHEMBL636431 0.73 KDM4E (0.49) ALDH1A1TDP1
SCHEMBL18249563 0.73 CES2 (0.41)
SCHEMBL969557 0.73 KDM4E (0.49) ALDH1A1TDP1
SCHEMBL636430 0.73 KDM4E (0.49) ALDH1A1TDP1

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-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS MERCK PATENT GMBH (DE) 2018-09-27 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 HIF1A 3579/4885HSD17B2 4037/4885SRC 4081/4885
US-20180273476-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 HIF1A 3579/4885HSD17B2 4037/4885SRC 4081/4885

“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.