SCHEMBL2120299

SCHEMBL2120299

COc1ccn2cc(C[C@]3(C(C)(C)C)CCCCN3C(=O)O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 3/20 0.41
TP53 P04637 2/20 0.39
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR9 Q9NR96 4/20 0.37
TLR7 Q9NYK1 3/20 0.37
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HCRTR1 O43613 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KLKB1 P03952 1/20 0.33
TLR8 Q9NR97 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
SCHEMBL2120939 0.85 KDM4E (0.37) KDM4EALDH1A1MAPTTDP1POLB
SCHEMBL2121709 0.83 KDM4E (0.45) TP53KDM4EALDH1A1MAPTTDP1
SCHEMBL2512855 0.81 KDM4E (0.36) METTL3KDM4EALDH1A1TDP1POLB
SCHEMBL311401 0.78 PDE8B (0.32) KDM4EALDH1A1TDP1POLBL3MBTL1
SCHEMBL2538401 0.77 KDM4E (0.33) KDM4EALDH1A1MAPTTDP1POLB
SCHEMBL2120843 0.77 MCHR1 (0.39) METTL3KDM4EALDH1A1MAPTPOLB
SCHEMBL2121865 0.75 KDM4E (0.46) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL2533055 0.74 KDM4E (0.35) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL2512319 0.74 RXFP1 (0.32) KDM4EHPGDHSD17B10
SCHEMBL2124882 0.73

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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 METTL3 4309/4885TP53 4885/4885KDM4E 769/4885

“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.