SCHEMBL772434

SCHEMBL772434

[CH2]CC1CCCN(CC(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.40
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2C P18825 1/20 0.36
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
KMT2A Q03164 1/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL24765448 0.85 PIK3CD (0.42) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL26345081 0.83 PIK3CD (0.41) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL27283973 0.83 PIK3CD (0.41) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL18427493 0.83 PIK3CD (0.41) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL12436 0.83 PIK3CD (0.41) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL24997025 0.81 CYP2D6 (0.44) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL13981437 0.81 CYP2D6 (0.44) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL23374535 0.80 PIK3CD (0.39) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL18844599 0.79 CHRM5 (0.42) PIK3CDKDM4EPOLBCHRM5ADRA2C
SCHEMBL771666 0.79 DRD2 (0.36) CHRM5ADRA2CCARM1PRMT6

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 PIK3CD 1700/4885KDM4E 2725/4885POLB 77/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PIK3CD 1700/4885KDM4E 2725/4885POLB 77/4885

“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.