SCHEMBL772294

SCHEMBL772294

[CH2]CC1CCCN(C2CCCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CXCR4 P61073 1/20 0.34
RAB9A P51151 3/20 0.33
CCR2 P41597 3/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
KCNH2 Q12809 2/20 0.32
KDM2B Q8NHM5 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL772419 1.00 MEN1 (0.35) MEN1KMT2ACXCR4RAB9ACCR2
SCHEMBL772540 1.00 MEN1 (0.35) MEN1KMT2ACXCR4RAB9ACCR2
SCHEMBL772856 0.98 MEN1 (0.37) MEN1KMT2ACXCR4RAB9ACCR2
SCHEMBL772087 0.94 CCR2 (0.37) MEN1KMT2ACCR2ALDH1A1KCNH2
SCHEMBL2123464 0.89 DPP4 (0.38) MEN1KMT2ADPP4PHGDHMGLL
SCHEMBL770737 0.84 MEN1 (0.40) MEN1KMT2ARAB9ACCR2DPP4
SCHEMBL22627291 0.78 CCR4 (0.41) MEN1KMT2ACXCR4RAB9APHGDH
SCHEMBL21318624 0.78 DPP4 (0.39) MEN1KMT2ACXCR4RAB9ADPP4
SCHEMBL9129836 0.78 CCR4 (0.41) MEN1KMT2ACXCR4RAB9APHGDH
SCHEMBL10283199 0.78 DPP4 (0.42) MEN1KMT2ACXCR4RAB9ADPP4

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 MEN1 4753/4885KMT2A 1865/4885CXCR4 1338/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MEN1 4753/4885KMT2A 1865/4885CXCR4 1338/4885

“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.