SCHEMBL772816

SCHEMBL772816

[CH2]C(=O)N1CCC(CCC)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.44
GNAO1 P09471 3/20 0.44
GNAI1 P63096 3/20 0.44
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.37
HSD11B1 P28845 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.36
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL16600390 0.89 GNAI3 (0.39) GNAI3GNAO1GNAI1CYP2C9POLB
SCHEMBL772127 0.83 EPHX2 (0.41) GNAI3GNAO1GNAI1ALDH1A1MAPT
SCHEMBL3933259 0.82 AKR1C3 (0.42) GNAI3GNAO1GNAI1ALDH1A1ATM
SCHEMBL12641 0.82 GNAI3 (0.45) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL12016032 0.82 GNAI3 (0.45) GNAI3GNAO1GNAI1CYP2C9POLB
SCHEMBL14814157 0.80 GNAI3 (0.44) GNAI3GNAO1GNAI1CYP2C9POLB
SCHEMBL8310485 0.80 GNAI3 (0.44) GNAI3GNAO1GNAI1CYP2C9POLB
SCHEMBL4518519 0.80 GNAI3 (0.51) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL18328751 0.79 TEAD1 (0.54) GNAI3GNAO1GNAI1POLBHPGD
SCHEMBL18997472 0.78 GNAI3 (0.43) GNAI3GNAO1GNAI1POLBHPGD

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 8 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US 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
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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 (3 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 GNAI3 1701/4885GNAO1 3798/4885GNAI1 1141/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 GNAI3 642/4885GNAO1 2627/4885GNAI1 410/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GNAI3 1701/4885GNAO1 3798/4885GNAI1 1141/4885

“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.