SCHEMBL12418600

SCHEMBL12418600

C=C(OCC)C(=O)N1CCC(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 3/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 2/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.40
LIPE Q05469 1/20 0.39
POLB P06746 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 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
SCHEMBL13601675 0.82 MAPT (0.70) MAPTGAAALDH1A1NPC1KDM4E
SCHEMBL1267094 0.80 GAA (0.65) MAPTGAAALDH1A1NPC1NOS3
SCHEMBL15139530 0.74 GAA (0.57) GAAALDH1A1NPC1KDM4ENOS3
SCHEMBL10005159 0.73 GAA (0.56) MAPTGAAALDH1A1NPC1NOS3
SCHEMBL12385782 0.73 GAA (0.56) MAPTGAAALDH1A1NPC1NOS3
SCHEMBL23559762 0.73 GAA (0.56) MAPTGAAALDH1A1NPC1NOS3
SCHEMBL13601676 0.72 MAPT (0.53) MAPTGAAALDH1A1NPC1KDM4E
SCHEMBL23553150 0.72 ALDH1A1 (0.52) MAPTGAAALDH1A1NPC1KDM4E
SCHEMBL13601703 0.71 MAPT (0.48) MAPTGAAALDH1A1NPC1KDM4E
SCHEMBL10280128 0.71 ALDH1A1 (0.54) GAAALDH1A1NPC1KDM4EKMT2A

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-20110171163-A1 POLYMER CONJUGATES OF ZICONOTIDE PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-14 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-20110171163-A1 POLYMER CONJUGATES OF ZICONOTIDE PEPTIDES NGLY1, VIP, IAPP MAPT 810/4885GAA 1484/4885ALDH1A1 4383/4885

“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.