SCHEMBL423453

SCHEMBL423453

[CH2]C(=O)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
HSD17B10 Q99714 1/20 0.58
PHGDH O43175 1/20 0.53
MGLL Q99685 1/20 0.53
HRH3 Q9Y5N1 5/20 0.51
KCNH2 Q12809 2/20 0.51
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.46

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
SCHEMBL4669817 0.94 POLB (0.50) POLBHSD17B10PHGDHMGLLHRH3
SCHEMBL422889 0.83 L3MBTL3 (0.58) KDM4EALDH1A1MEN1KMT2AL3MBTL3
SCHEMBL27739891 0.83 HRH3 (0.64) POLBHSD17B10PHGDHMGLLHRH3
SCHEMBL3931694 0.81 L3MBTL3 (0.56) L3MBTL3L3MBTL1
SCHEMBL18619500 0.81 POLB (0.59) POLBHSD17B10PHGDHMGLLHRH3
SCHEMBL425626 0.81 L3MBTL3 (0.56) L3MBTL3L3MBTL1
SCHEMBL3601428 0.81 POLB (0.59) POLBHSD17B10PHGDHMGLLHRH3
SCHEMBL4014698 0.80 L3MBTL3 (0.42) POLBHSD17B10HRH3KDM4EALDH1A1
SCHEMBL19054708 0.80 POLB (0.54) POLBHSD17B10PHGDHMGLLHRH3
SCHEMBL10075487 0.79 POLB (0.58) POLBHSD17B10PHGDHMGLLHRH3

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP 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 (2 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI POLB 88/4885HSD17B10 905/4885PHGDH 2561/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI POLB 88/4885HSD17B10 905/4885PHGDH 2561/4885

“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.