SCHEMBL427383

SCHEMBL427383

[CH2]CN1CCN(C2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
PHGDH O43175 1/20 0.47
MGLL Q99685 1/20 0.47
TMEM97 Q5BJF2 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1775624 0.98 SIGMAR1 (0.44) SIGMAR1PHGDHMGLLTMEM97KDM4E
SCHEMBL25413163 0.93 SIGMAR1 (0.41) SIGMAR1PHGDHMGLLTMEM97KDM4E
SCHEMBL1406665 0.88 KDM1A (0.36) SIGMAR1PHGDHMGLLTMEM97KDM4E
SCHEMBL425433 0.82 L3MBTL1 (0.45) KDM4EALDH1A1TSHR
SCHEMBL6658589 0.81 SIGMAR1 (0.51) SIGMAR1PHGDHMGLLTMEM97
SCHEMBL3072031 0.80 SIGMAR1 (0.44) SIGMAR1PHGDHMGLLTMEM97
SCHEMBL5784736 0.80 PHGDH (0.56) SIGMAR1PHGDHMGLLMEN1KMT2A
SCHEMBL6245189 0.80 PHGDH (0.56) SIGMAR1PHGDHMGLLMEN1KMT2A
SCHEMBL584039 0.80
SCHEMBL24302231 0.80 PHGDH (0.56) SIGMAR1PHGDHMGLLMEN1KMT2A

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 SIGMAR1 3540/4885PHGDH 2561/4885MGLL 3813/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI SIGMAR1 3540/4885PHGDH 2561/4885MGLL 3813/4885

“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.