SCHEMBL770801

SCHEMBL770801

[CH2]CN1CCN(C(=O)OC(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
PIK3CD O00329 1/20 0.39
PLA2G7 Q13093 1/20 0.35
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
CYP2D6 P10635 1/20 0.35
FAAH O00519 1/20 0.34
GPR119 Q8TDV5 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDK2 Q15119 1/20 0.34
GAA P10253 1/20 0.33
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
P2RY12 Q9H244 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
SCHEMBL15599233 0.83 HRH2 (0.45) HRH2HRH1PIK3CD
SCHEMBL19400534 0.83 HRH2 (0.42) HRH2HRH1PIK3CDPLA2G7MGLL
SCHEMBL15832599 0.80 HRH2 (0.52) HRH2HRH1PIK3CDPLA2G7MGLL
SCHEMBL7946318 0.79 HRH2 (0.45) HRH2HRH1PIK3CDGPR119SMN1; SMN2
SCHEMBL772776 0.79 CYP2D6 (0.45) HRH2HRH1CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL12283671 0.77 ALDH1A1 (0.56) SMN1; SMN2GAAALDH1A1POLBHTT
SCHEMBL5539553 0.77 ALDH1A1 (0.56) SMN1; SMN2GAAALDH1A1POLBHTT
SCHEMBL12184259 0.76 PIK3CD (0.48) HRH2HRH1PIK3CDFAAHGPR119
SCHEMBL10053019 0.76 CYP1A2 (0.48) HRH2HRH1GPR119ALDH1A1
SCHEMBL2654623 0.76 TSHR (0.40) HRH2HRH1FAAHGPR119SMN1; SMN2

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 HRH2 3712/4885HRH1 3518/4885PIK3CD 1700/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH2 3712/4885HRH1 3518/4885PIK3CD 1700/4885

“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.