SCHEMBL5403405

SCHEMBL5403405

CC(C)(C)OC(=O)N1CCC(CNc2ccc(Cl)nn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
PRMT5 O14744 1/20 0.49
BRD4 O60885 1/20 0.48
KDM1A O60341 1/20 0.46
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
BCDIN3D Q7Z5W3 1/20 0.45
TGFBR1 P36897 1/20 0.45
GPR119 Q8TDV5 4/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
STS P08842 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6585898 0.90 GPR119 (0.48) KDM4EPKMGPR119
SCHEMBL23558620 0.86 NAMPT (0.53) KDM4EPKMPRMT5KDM1AGPR119
SCHEMBL29501504 0.85 NR1H2 (0.51) KDM4EPKMPRMT5BRD4CCNT1
SCHEMBL23545080 0.85 NR1H2 (0.51) KDM4EPKMPRMT5BRD4CCNT1
SCHEMBL20936864 0.85 NR1H2 (0.51) KDM4EPKMPRMT5BRD4CCNT1
SCHEMBL22797037 0.84 PTPN2 (0.62) STSMAPTNPC1ALDH1A1MAPK1
SCHEMBL6586005 0.83 KDM4E (0.53) KDM4EPKMBRD4KDM1ATGFBR1
SCHEMBL22797244 0.83 ALDH1A1 (0.58) PRMT5BRD4CCNT1GPR119JAK1
SCHEMBL16043728 0.83 KDM4E (0.52) KDM4EPKMPRMT5BRD4CCNT1
SCHEMBL20641623 0.82 NAMPT (0.53) GPR119

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-7294627-B2 Chemical compounds ELI LILLY AND COMPANY (US) 2007-11-13 US disclosed
US-20040249151-A1 Factor Xa inhibitors, useful in therapy of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 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-20040249151-A1 Factor Xa inhibitors, useful in therapy of thrombotic disorders F11, SERPINC1, F2 KDM4E 3477/4885PKM 4228/4885PRMT5 1204/4885

“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.