SCHEMBL771630

SCHEMBL771630

[CH2]COC1CCCN(CC)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.39
DRD4 P21917 4/20 0.37
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
HTR2A P28223 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PARP1 P09874 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL12464725 0.85 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6KDM4EDRD4
SCHEMBL17285625 0.81 L3MBTL1 (0.44) CYP3A4CYP1A2CYP2D6KDM4EDRD4
SCHEMBL24661420 0.79 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6KDM4EDRD4
SCHEMBL24661418 0.79 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6KDM4EDRD4
SCHEMBL24661960 0.79 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6KDM4EHTR2A
SCHEMBL24128105 0.79 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6KDM4EHTR2A
SCHEMBL6923031 0.79 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6KDM4EHTR2A
SCHEMBL771441 0.78 SIGMAR1 (0.35) CYP3A4CYP1A2CYP2D6KDM4EDRD4
SCHEMBL772170 0.76 HRH3 (0.41) TMEM97SIGMAR1CHRM3
SCHEMBL8948744 0.76 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6KDM4ECHRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CYP3A4 1341/4885CYP1A2 1549/4885CYP2D6 1478/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP3A4 1341/4885CYP1A2 1549/4885CYP2D6 1478/4885

“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.