SCHEMBL772209

SCHEMBL772209

[CH2]CN(C)C1CCN(C(=O)OC)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
BRD4 O60885 2/20 0.38
EPHX1 P07099 1/20 0.38
PER2 O15055 1/20 0.37
CRY1 Q16526 1/20 0.37
CRY2 Q49AN0 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
BRDT Q58F21 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL771282 0.90 PGR (0.38) GPR119CYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL770638 0.81 LTA4H (0.41) EPHX1L3MBTL1L3MBTL3
SCHEMBL771883 0.81 GAA (0.41) BRD4EPHX1GAASMN1; SMN2KMT2A
SCHEMBL14388985 0.80 L3MBTL3 (0.53) GPR119BRD4EPHX1PER2CRY1
SCHEMBL23986339 0.78 CYP2D6 (0.46) PER2CRY1CRY2GAASMN1; SMN2
SCHEMBL17572098 0.76 DPP4 (0.41) GPR119BRD4EPHX1PER2CRY1
SCHEMBL771084 0.75 BRD4 (0.48) BRD4EPHX1GAATHRBATM
SCHEMBL771635 0.75 BCHE (0.47) BRD4EPHX1THRBATML3MBTL1
SCHEMBL772082 0.75 SMN1; SMN2 (0.38) GAASMN1; SMN2KMT2ACHRNB2CHRNB4
SCHEMBL771728 0.75 ADH1C (0.46) GPR119BRD4EPHX1PER2CRY1

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 GPR119 3538/4885BRD4 446/4885EPHX1 3653/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GPR119 3538/4885BRD4 446/4885EPHX1 3653/4885

“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.