SCHEMBL676903

SCHEMBL676903

CCCCCC(N)C[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
PLA2G1B P04054 1/20 0.45
PLA2G2A P14555 1/20 0.45
SPHK1 Q9NYA1 2/20 0.43
TP53 P04637 2/20 0.42
LAP3 P28838 2/20 0.42
CYP2D6 P10635 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL9398462 0.98 S1PR2 (0.48) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL28114426 0.93
SCHEMBL5520840 0.83
SCHEMBL28002842 0.78 S1PR2 (0.52) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL6542341 0.77 GSR (0.40) LMNABLM
SCHEMBL672857 0.77 OPRM1 (0.63) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8726615 0.76
SCHEMBL9425652 0.76 LMNA (0.46) OPRM1SPHK1LMNAMAPTGPR84
SCHEMBL24042540 0.76 PLA2G1B (0.48) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL27611846 0.76 PLA2G1B (0.48) OPRM1S1PR2S1PR1S1PR3S1PR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition EMORY UNIVERSITY (US) 2011-11-10 US disclosed
EP-2328578-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION Emory University (US) 2011-06-08 EP disclosed
WO-2010030582-A2 NOSCAPINE AND NOSCAPINE ANALOGS AND THEIR USE IN TREATING INFECTIOUS DISEASES BY TUBULIN BINDING INHIBITION EMORY UNIVERSITY (US) 2010-03-18 WO 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-20110274651-A1 Noscapine and Noscapine Analogs and Their Use in treating Infectious Diseases by Tubulin Binding Inhibition NOS1, NOS2, TBCA OPRM1 2140/4885S1PR2 4347/4885S1PR1 3647/4885

“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.