SCHEMBL4163022

SCHEMBL4163022

CCN(CC)C(=O)c1cc(C)n(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.46
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1041466 0.72 NOTUM (0.53) KMT2AMEN1ALDH1A1
SCHEMBL5167072 0.72 HPGD (0.45) HSP90AA1HSP90AB1KDM4EHPGDTDP1
SCHEMBL12086278 0.71 BAZ2B (0.54) KDM4EHPGDTDP1SMN1; SMN2APOBEC3A
SCHEMBL13753346 0.71 BRD4 (0.42) KDM4EHPGDTDP1SMN1; SMN2LMNA
SCHEMBL2930813 0.71 L3MBTL1 (0.44) KDM4EHPGDTDP1SMN1; SMN2LMNA
SCHEMBL13740220 0.70 ALDH1A1 (0.55) KDM4ETDP1SMN1; SMN2LMNAKMT2A
SCHEMBL5166818 0.70 MMP1 (0.46) HSP90AA1HSP90AB1KDM4EHPGDTDP1
SCHEMBL3739313 0.69 HPGD (0.51) HSP90AA1HSP90AB1HPGDTDP1SMN1; SMN2
SCHEMBL13687490 0.68 L3MBTL1 (0.39) KDM4ETDP1SMN1; SMN2LMNAKMT2A
SCHEMBL6971381 0.67 L3MBTL1 (0.48) KDM4ETDP1SMN1; SMN2LMNAKMT2A

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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 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-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R SPR 1057/4885HSP90AA1 1125/4885HSP90AB1 985/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R SPR 1057/4885HSP90AA1 1125/4885HSP90AB1 985/4885

“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.