SCHEMBL440620

SCHEMBL440620

COC(=O)C1CCC(c2noc(-c3ccccc3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
HSD11B1 P28845 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
USP7 Q93009 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
IDO1 P14902 1/20 0.43

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
SCHEMBL407353 1.00 POLB (0.59) POLBCASP3SENP7SENP6HSD11B1
SCHEMBL440747 0.85 POLB (0.67) POLBCASP3SENP7SENP6HSD11B1
SCHEMBL408294 0.85 POLB (0.67) POLBCASP3SENP7SENP6HSD11B1
SCHEMBL5659225 0.78 POLB (0.56) POLBCASP3SENP7SENP6HSD11B1
SCHEMBL4224118 0.78 POLB (0.56) POLBCASP3SENP7SENP6HSD11B1
SCHEMBL2576712 0.77 CCR5 (0.40) HSD11B1FABP4FABP5
SCHEMBL2576715 0.77 CCR5 (0.40) HSD11B1FABP4FABP5
SCHEMBL408245 0.76 TNKS (0.50) POLBHSD11B1CA1CA2NPC1
SCHEMBL437121 0.76 TNKS (0.50) POLBHSD11B1CA1CA2NPC1
SCHEMBL3241118 0.75 POLB (0.63) POLBCASP3SENP7SENP6HSD11B1

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-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
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-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.