SCHEMBL408294

SCHEMBL408294

O=C(O)[C@H]1CC[C@H](c2noc(-c3ccccc3)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HSD11B1 P28845 1/20 0.51
USP7 Q93009 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
S1PR1 P21453 2/20 0.47
S1PR5 Q9H228 2/20 0.47
S1PR4 O95977 1/20 0.47
MGLL Q99685 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL440747 1.00 POLB (0.67) POLBCASP3SENP7SENP6CA1
SCHEMBL440620 0.85 POLB (0.59) POLBCASP3SENP7SENP6CA1
SCHEMBL407353 0.85 POLB (0.59) POLBCASP3SENP7SENP6CA1
SCHEMBL3241118 0.81 POLB (0.63) POLBCASP3SENP7SENP6CA1
SCHEMBL14305118 0.80 POLB (1.00) POLBCASP3SENP7SENP6CA1
SCHEMBL20898198 0.79 CA1 (0.59) POLBCASP3SENP7SENP6CA1
SCHEMBL3128709 0.79 POLB (0.74) POLBCASP3SENP7SENP6CA1
SCHEMBL407318 0.78 USP7 (0.74) POLBCASP3SENP7SENP6CA1
SCHEMBL5659225 0.78 POLB (0.56) POLBCASP3SENP7SENP6CA1
SCHEMBL4224118 0.78 POLB (0.56) POLBCASP3SENP7SENP6CA1

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT POLB 2752/4885CASP3 3645/4885SENP7 3551/4885

“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.