SCHEMBL772359

SCHEMBL772359

[CH2]CN1CCCCC1COC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
ARG1 P05089 2/20 0.36
ARG2 P78540 2/20 0.36
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PNP P00491 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
TLR7 Q9NYK1 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
SCHEMBL771402 0.94 HDAC8 (0.43) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL1406503 0.94 HDAC8 (0.43) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL772187 0.94 HDAC8 (0.43) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL771187 0.85 DRD2 (0.40) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL12188160 0.82 HDAC8 (0.40) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL666111 0.81 CYP1A2 (0.37) HDAC8HDAC6HDAC1DRD2MAPK1
SCHEMBL18455135 0.79 DRD2 (0.40) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL664588 0.78 MAPK1 (0.43) MAPK1ALDH1A1CRHBPCRHR2SMN1; SMN2
SCHEMBL8391212 0.76 HDAC8 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A
SCHEMBL15811824 0.76 HDAC8 (0.44) HDAC8HDAC6HDAC1DRD2HTR2A

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 HDAC8 380/4885HDAC6 82/4885HDAC1 182/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HDAC8 380/4885HDAC6 82/4885HDAC1 182/4885

“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.