SCHEMBL11890531

SCHEMBL11890531

COc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc(N)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.74
DRD2 P14416 4/20 0.63
L3MBTL1 Q9Y468 1/20 0.58
DRD4 P21917 2/20 0.55
DRD3 P35462 2/20 0.55

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
SCHEMBL8124961 1.00 SIGMAR1 (0.74) SIGMAR1DRD2L3MBTL1DRD4DRD3
SCHEMBL8125940 1.00 SIGMAR1 (0.74) SIGMAR1DRD2L3MBTL1DRD4DRD3
SCHEMBL8126293 0.96 SIGMAR1 (0.80) SIGMAR1DRD2DRD3
SCHEMBL8118341 0.94 SIGMAR1 (0.65) SIGMAR1DRD2DRD3
SCHEMBL8119845 0.93 SIGMAR1 (0.64) SIGMAR1DRD2DRD3
SCHEMBL8127075 0.89 SIGMAR1 (0.75) SIGMAR1DRD2L3MBTL1DRD3
SCHEMBL8120009 0.89 SIGMAR1 (0.75) SIGMAR1DRD2L3MBTL1DRD4DRD3
SCHEMBL8126235 0.89 SIGMAR1 (0.75) SIGMAR1DRD2L3MBTL1DRD4DRD3
SCHEMBL8120491 0.89 SIGMAR1 (0.74) SIGMAR1DRD2L3MBTL1DRD4DRD3
SCHEMBL8120171 0.89 SIGMAR1 (0.93) SIGMAR1DRD2L3MBTL1DRD4DRD3

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-20120190751-A1 COMPOUNDS FOR TREATMENTS OF INFLAMMATION ANA-MAR AB (SE) 2012-07-26 US disclosed
US-20120190751-A1 COMPOUNDS FOR TREATMENTS OF INFLAMMATION ANA-MAR AB (SE) 2012-07-26 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-20120190751-A1 COMPOUNDS FOR TREATMENTS OF INFLAMMATION IL6, IL1B, TNF SIGMAR1 1646/4885DRD2 590/4885L3MBTL1 2553/4885

“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.