SCHEMBL15437829

SCHEMBL15437829

CN1CCC(C(=O)c2cccnc2)C1=O.[KH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SLC18A3 Q16572 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.42
APP P05067 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL19464267 0.99 KDM4E (0.49) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL6964086 0.99 KDM4E (0.49) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL15437879 0.97 KDM4E (0.48) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL15437887 0.97 KDM4E (0.48) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL28748482 0.79 SLC18A3 (0.46) KDM4EMEN1KMT2ASLC18A3ALDH1A1
SCHEMBL29606918 0.79 SLC18A3 (0.46) KDM4EMEN1KMT2ASLC18A3ALDH1A1
SCHEMBL21074265 0.78 MAPT (0.46) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL22572549 0.77 L3MBTL1 (0.45) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL14937184 0.76 BRD4 (0.43) MAPT
SCHEMBL11903908 0.76 GAA (0.42) KDM4EL3MBTL1MAPTMEN1KMT2A

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-8884021-B2 Process for preparing racemic nicotine TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-11-11 US disclosed
US-20140031554-A1 PROCESS FOR PREPARING RACEMIC NICOTINE TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-01-30 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 (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-20140031554-A1 PROCESS FOR PREPARING RACEMIC NICOTINE NAPRT, NNMT, NAMPT KDM4E 1525/4885L3MBTL1 4843/4885MAPT 2055/4885

“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.